Pyrimidinethiones

Description:

Compounds containing a pyrimidine ring that bears a thioketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

Ancestors:

Organic compounds ⮕ Organoheterocyclic compounds ⮕ Diazines ⮕ Pyrimidines and pyrimidine derivatives ⮕ Pyrimidinethiones

2-Mercaptopyrimidine
- ≥98%(HPLC)
Cas Number: 1450-85-7

Formula: C₄H₄N₂S Molecular Weight: 112.15

IUPAC Name: 1H-pyrimidine-2-thione

SMILES: C1=CNC(=S)N=C1

InChIKey: HBCQSNAFLVXVAY-UHFFFAOYSA-N

InChI: InChI=1S/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)

Synonyms: MFCD00006073 | NSC193522 | NSC-193522 | CHEBI:53576 | 2(1H)-Pyrimidinethione | 2-Thiopyrimidine | Pyrimidine-1-thiol ...
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2-Thiocytosine
- ≥97%
Cas Number: 333-49-3 Compound CID: 2724245

Formula: C₄H₅N₃S Molecular Weight: 127.17

IUPAC Name: 6-amino-1H-pyrimidine-2-thione

SMILES: C1=C(NC(=S)N=C1)N

InChIKey: DCPSTSVLRXOYGS-UHFFFAOYSA-N

InChI: InChI=1S/C4H5N3S/c5-3-1-2-6-4(8)7-3/h1-2H,(H3,5,6,7,8)

Synonyms: CS-0078723 | Thiocytosine | 4-Amino-2(1H)-pyrimidinethione | 4-Amino-2-mercaptopyrimidine | BBL100192 | GEO-00152 | 2...
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2-Mercapto-4-methylpyrimidine hydrochloride
- ≥99%
Cas Number: 6959-66-6 Compound CID: 2723697

Formula: C₅H₆N₂S · HCl Molecular Weight: 162.64

IUPAC Name: 6-methyl-1H-pyrimidine-2-thione;hydrochloride

SMILES: CC1=CC=NC(=S)N1.Cl

InChIKey: UQJLPBLXSJWAKG-UHFFFAOYSA-N

InChI: InChI=1S/C5H6N2S.ClH/c1-4-2-3-6-5(8)7-4;/h2-3H,1H3,(H,6,7,8);1H

Synonyms: 6-methyl-1,2-dihydropyrimidine-2-thione hydrochloride | 6-methyl-1H-pyrimidine-2-thione;hydrochloride | FT-0612742 | ...
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4-(Trifluoromethyl)pyrimidine-2-thiol
- ≥96%
Cas Number: 136547-17-6 Compound CID: 1240105

Formula: C₅H₃F₃N₂S Molecular Weight: 180.15

IUPAC Name: 6-(trifluoromethyl)-1H-pyrimidine-2-thione

SMILES: C1=C(NC(=S)N=C1)C(F)(F)F

InChIKey: HDGJASCXBNRLGA-UHFFFAOYSA-N

InChI: InChI=1S/C5H3F3N2S/c6-5(7,8)3-1-2-9-4(11)10-3/h1-2H,(H,9,10,11)

Synonyms: FT-0616947 | PS-6846 | 2-Mercapto-4-(trifluoromethyl)pyrimidine | A807087 | DTXSID20929466 | J-513939 | HMS1524K05 | ...
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4,6-Dimethyl-2-pyrimidinethiol
- ≥98%
Cas Number: 22325-27-5 EC Number: 244-911-3

Formula: C₆H₈N₂S Molecular Weight: 140.21

IUPAC Name: 4,6-dimethyl-1H-pyrimidine-2-thione

SMILES: CC1=CC(=NC(=S)N1)C

InChIKey: RAFAYWADRVMWFA-UHFFFAOYSA-N

InChI: InChI=1S/C6H8N2S/c1-4-3-5(2)8-6(9)7-4/h3H,1-2H3,(H,7,8,9)

Synonyms: SCHEMBL51447 | STK392544 | EN300-24824 | FT-0617264 | J-650335 | SB56806 | NSC-15491 | 4,6-DIMETHYL-2-PYRIMIDINETHION...
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4,6-Dimethoxy-2-mercaptopyrimidine
- ≥98%
Cas Number: 57235-35-5 Compound CID: 10313510

Formula: C₆H8N₂O₂S Molecular Weight: 172.21

IUPAC Name: 4,6-dimethoxy-1H-pyrimidine-2-thione

SMILES: COC1=CC(=NC(=S)N1)OC

InChIKey: PCVRHOZHSQQRMC-UHFFFAOYSA-N

InChI: InChI=1S/C6H8N2O2S/c1-9-4-3-5(10-2)8-6(11)7-4/h3H,1-2H3,(H,7,8,11)

Synonyms: 4,6-Dimethoxy-2-mercaptopyrimidine | PCVRHOZHSQQRMC-UHFFFAOYSA-N | SCHEMBL1067804 | W-203154 | 4,6-Dimethoxy-pyrimidi...
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5-methylpyrimidine-2-thiol hydrochloride
Cas Number: 1158249-10-5 Compound CID: 20850076

Formula: C₅H₆N₂S•HCl Molecular Weight: 162.64

IUPAC Name: 5-methyl-1H-pyrimidine-2-thione;hydrochloride

SMILES: CC1=CNC(=S)N=C1.Cl

InChIKey: AZFLVSNLWLWSAZ-UHFFFAOYSA-N

InChI: InChI=1S/C5H6N2S.ClH/c1-4-2-6-5(8)7-3-4;/h2-3H,1H3,(H,6,7,8);1H

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Dithiouracil
- ≥98%
Cas Number: 2001-93-6 EC Number: 217-894-5

Formula: C₄H₄N₂S₂ Molecular Weight: 144.22

IUPAC Name: 1H-pyrimidine-2,4-dithione

SMILES: C1=CNC(=S)NC1=S

InChIKey: ZEQIWKHCJWRNTH-UHFFFAOYSA-N

InChI: InChI=1S/C4H4N2S2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

Synonyms: D87918 | A814174 | USAF CB-14 | 2,4(1H,3H)-Pyrimidinedithione | Dithiouracil, 98% | NCGC00338889-01 | Dithiouracil | ...
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