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80653-66-3

80653-66-3 | THIAZOLE-4-CARBOTHIOIC ACID AMIDE

CAS No: 80653-66-3 Catalog No: AG00G47B MDL No:MFCD04115283

Product Description

Catalog Number:
AG00G47B
Chemical Name:
THIAZOLE-4-CARBOTHIOIC ACID AMIDE
CAS Number:
80653-66-3
Molecular Formula:
C4H4N2S2
Molecular Weight:
144.2180
MDL Number:
MFCD04115283
IUPAC Name:
1,3-thiazole-4-carbothioamide
InChI:
InChI=1S/C4H4N2S2/c5-4(7)3-1-8-2-6-3/h1-2H,(H2,5,7)
InChI Key:
SOQQSPURSLWWMI-UHFFFAOYSA-N
SMILES:
NC(=S)c1cscn1

Properties

Complexity:
104  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
143.982g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
144.21g/mol
Monoisotopic Mass:
143.982g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

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