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Isothioureas

Description:

Organic compounds containing the isothiourea group, with the general structure R1SC(=NR2)N(R3)R4 (R1,R2,R3,R4=H, alkyl, aryl).

Ancestors:

Organic compounds ⮕ Organosulfur compounds ⮕ Isothioureas
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Items 1-12 of 19

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  1. Propyl carbamimidothioate
    Cas Number: 2986-21-2
    Formula:  C4H10N2S        Molecular Weight: 118.2
    IUPAC Name:  propyl carbamimidothioate
    SMILES:  CCCSC(=N)N
    InChIKey: JKHAGQZCIAFTOX-UHFFFAOYSA-N
    InChI:  InChI=1S/C4H10N2S/c1-2-3-7-4(5)6/h2-3H2,1H3,(H3,5,6)
    Synonyms: propyl carbamimidothioate | 2-Propyl-isothiourea | DTXSID401312139 | BDBM50271829 | STL483836 | AKOS013362488
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  2. s-Ethylisothiourea
    Cas Number: 2986-20-1        Compound CID:  5139
    Formula:  C3H8N2S        Molecular Weight: 104.18
    IUPAC Name:  ethyl carbamimidothioate
    SMILES:  CCSC(=N)N
    InChIKey: VFIZBHJTOHUOEK-UHFFFAOYSA-N
    InChI:  InChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)
    Synonyms: s-ethylisothiourea | etiron | 2-Ethyl-2-thiopseudourea | ethyron | ethyl carbamimidothioate | ETHYLISOTHIOUREA | Carb...
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  3. Tert-butyl carbamimidothioate
    Cas Number: 926-07-8
    Formula:  C5H12N2S        Molecular Weight: 132.23
    IUPAC Name:  tert-butyl carbamimidothioate
    SMILES:  CC(C)(C)SC(=N)N
    InChIKey: HQYFXUNMHLTGCN-UHFFFAOYSA-N
    InChI:  InChI=1S/C5H12N2S/c1-5(2,3)8-4(6)7/h1-3H3,(H3,6,7)
    Synonyms: tert-butyl carbamimidothioate | 2-tert-Butyl-isothiourea | DTXSID20383524 | (tert-butylsulfanyl)methanimidamide | BDB...
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  4. S-Isopropyl-isothiourea
    Cas Number: 6913-17-3        Compound CID:  445319
    Formula:  C4H10N2S        Molecular Weight: 118.2
    IUPAC Name:  propan-2-yl carbamimidothioate
    SMILES:  CC(C)SC(=N)N
    InChIKey: XSSNABKEYXKKMK-UHFFFAOYSA-N
    InChI:  InChI=1S/C4H10N2S/c1-3(2)7-4(5)6/h3H,1-2H3,(H3,5,6)
    Synonyms: S-ISOPROPYL-ISOTHIOUREA | 2-Isopropyl-isothiourea | Isopropyl carbamimidothioate | propan-2-yl carbamimidothioate | T...
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  5. 2-methylisothiourea
      Grade & Purity: 
    • ≥97%
    Cas Number: 2986-19-8        Compound CID:  5142
    IUPAC Name:  methyl carbamimidothioate
    SMILES:  CSC(=N)N
    InChIKey: SDDKIZNHOCEXTF-UHFFFAOYSA-N
    InChI:  InChI=1S/C2H6N2S/c1-5-2(3)4/h1H3,(H3,3,4)
    Synonyms: SR-01000075165 | methyl carbamimidothioate | S-Methylthiopseudouronium iodide | 2-Methylisothio urea | BDBM50055282 |...
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  6. dimaprit
    IUPAC Name:  3-dimethylaminopropylsulfanylmethanimidamide
    SMILES:  CN(CCCSC(=N)N)C
    InChIKey: OLHQOJYVQUNWPL-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8)
    Synonyms: 3-dimethylaminopropylsulfanylmethanimidamide | NCGC00016775-03 | [3-(carbamimidoylsulfanyl)propyl]dimethylamine | CAS...
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  7. VUF 8430
    Cas Number: 98021-17-1        Compound CID:  3063228
    IUPAC Name:  2-(diaminomethylideneamino)ethylsulfanylmethanimidamide
    SMILES:  NC(=N)SCCN=C(N)N
    InChIKey: GSYGTVNTZHFQQH-UHFFFAOYSA-N
    InChI:  InChI=1S/C4H11N5S/c5-3(6)9-1-2-10-4(7)8/h1-2H2,(H3,7,8)(H4,5,6,9)
    Synonyms: VUF8430 | VUF-8430 | 2-carbamimidamidoethylsulfanylmethanimidamide | ([2-[(Diaminomethylidene)amino]ethyl]sulfanyl)me...
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  8. 1,2-Dimethyl-2-thiopseudourea hydriodide
      Grade & Purity: 
    • ≥98%
    Cas Number: 41306-45-0
    Formula:  CH3SC(=NH)NHCH3 · HI        Molecular Weight: 232.09
    IUPAC Name:  methyl N'-methylcarbamimidothioate;hydroiodide
    SMILES:  CN=C(N)SC.I
    InChIKey: UDUMWDDMSHXGGQ-UHFFFAOYSA-N
    InChI:  InChI=1S/C3H8N2S.HI/c1-5-3(4)6-2;/h1-2H3,(H2,4,5);1H
    Synonyms: AKOS015899551 | methyl N'-methylcarbamimidothioate;hydroiodide | 1,2-Dimethyl-2-thiopseudourea hydriodide | AT32120 |...
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  9. Kevetrin hydrochloride
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 66592-89-0
    Formula:  C5H9N3S · HCl        Molecular Weight: 179.67
    IUPAC Name:  3-cyanopropyl carbamimidothioate;hydrochloride
    SMILES:  C(CC#N)CSC(=N)N.Cl
    InChIKey: NCXJZJFDQMKRKM-UHFFFAOYSA-N
    InChI:  InChI=1S/C5H9N3S.ClH/c6-3-1-2-4-9-5(7)8;/h1-2,4H2,(H3,7,8);1H
    Synonyms: Kevetrin hydrochloride|66592-89-0|KEVETRIN|Kevetrin Hcl|Kevetrin (hydrochloride)|4-Isothioureidobutyronitrile hydroch...
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  10. Kevetrin hydrochloride
      Grade & Purity: 
    • ≥99%
    Cas Number: 66592-89-0
    Formula:  C5H9N3S · HCl        Molecular Weight: 179.67
    IUPAC Name:  3-cyanopropyl carbamimidothioate;hydrochloride
    SMILES:  C(CC#N)CSC(=N)N.Cl
    InChIKey: NCXJZJFDQMKRKM-UHFFFAOYSA-N
    InChI:  InChI=1S/C5H9N3S.ClH/c6-3-1-2-4-9-5(7)8;/h1-2,4H2,(H3,7,8);1H
    Synonyms: Carbamimidothioic acid, 3-cyanopropyl ester, monohydrochloride | EX-A627 | AS-71143 | s5811 | 66592-89-0 (HCl) | HY-1...
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  11. Dimaprit dihydrochloride
      Grade & Purity: 
    • ≥98%
    Cas Number: 23256-33-9        Compound CID:  90045
    Formula:  C6H15N3S.2HCl        Molecular Weight: 234.19
    IUPAC Name:  3-(dimethylamino)propyl carbamimidothioate;dihydrochloride
    SMILES:  CN(C)CCCSC(=N)N.Cl.Cl
    InChIKey: DFWCPLGXFMSUCW-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H15N3S.2ClH/c1-9(2)4-3-5-10-6(7)8;;/h3-5H2,1-2H3,(H3,7,8);2*1H
    Synonyms: SR-01000597945-2 | Dimaprit dihydrochloride, >=98% (NMR) | 2-(3-Dimethylaminopropyl)-2-thiopseudourea dihydrochloride...
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  12. Dimaprit dihydrochloride
      Grade & Purity: 
    • 10mM in DMSO
    Cas Number: 23256-33-9        Compound CID:  90045
    Formula:  C6H15N3S.2HCl        Molecular Weight: 234.19
    IUPAC Name:  3-(dimethylamino)propyl carbamimidothioate;dihydrochloride
    SMILES:  CN(C)CCCSC(=N)N.Cl.Cl
    InChIKey: DFWCPLGXFMSUCW-UHFFFAOYSA-N
    InChI:  InChI=1S/C6H15N3S.2ClH/c1-9(2)4-3-5-10-6(7)8;;/h3-5H2,1-2H3,(H3,7,8);2*1H
    Synonyms: Dimaprit Dihydrochloride|23256-33-9|Dimaprit hydrochloride|Dimaprit (hydrochloride)|Dimaprit (dihydrochloride)|3-(dim...
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