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5-Allylsulfanyl-[1,3,4]Thiadiazol-2-Ylamine - ≥95%, high purity , CAS No.30062-44-3
Basic Description
Synonyms
30062-44-3 | 5-Allylsulfanyl-[1,3,4]thiadiazol-2-ylamine | 5-(Allylthio)-1,3,4-thiadiazol-2-amine | 5-(prop-2-en-1-ylsulfanyl)-1,3,4-thiadiazol-2-amine | 5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-amine | 5-[(Prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-amine | NSC52397
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Aryl thioethers
Alternative Parents
Alkylarylthioethers 2-amino-5-substituted-1,3,4-thiadiazoles Heteroaromatic compounds Allyl sulfur compounds Sulfenyl compounds Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - 2-amino-5-substituted-1,3,4-thiadiazole - Alkylarylthioether - 2-amino-1,3,4-thiadiazole - Azole - Thiadiazole - Heteroaromatic compound - Allyl sulfur compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Amine - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
Pubchem Sid
504758566
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504758566
IUPAC Name
5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-amine
INCHI
InChI=1S/C5H7N3S2/c1-2-3-9-5-8-7-4(6)10-5/h2H,1,3H2,(H2,6,7)
InChIKey
KKGCJNIVVSSVRG-UHFFFAOYSA-N
Smiles
C=CCSC1=NN=C(S1)N
Isomeric SMILES
C=CCSC1=NN=C(S1)N
Molecular Weight
173.25
Reaxy-Rn
1073469
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1073469&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°C)
144.974°C
Boil Point(°C)
316.102°Cat760mmHg
Molecular Weight
173.300 g/mol
XLogP3
1.500
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Rotatable Bond Count
3
Exact Mass
173.008 Da
Monoisotopic Mass
173.008 Da
Topological Polar Surface Area
105.000 Ų
Heavy Atom Count
10
Formal Charge
0
Complexity
119.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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G2130163