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409110-07-2 | THIAZOLE-5-CARBOTHIOIC ACID AMIDE
CAS No: 409110-07-2 Catalog No: AG00BYXG MDL No:MFCD06738990
Product Description
Catalog Number:
AG00BYXG
Chemical Name:
THIAZOLE-5-CARBOTHIOIC ACID AMIDE
CAS Number:
409110-07-2
Molecular Formula:
C4H4N2S2
Molecular Weight:
144.2180
MDL Number:
MFCD06738990
IUPAC Name:
1,3-thiazole-5-carbothioamide
InChI:
InChI=1S/C4H4N2S2/c5-4(7)3-1-6-2-8-3/h1-2H,(H2,5,7)
InChI Key:
VMOSVQVYQHMPDD-UHFFFAOYSA-N
SMILES:
NC(=S)c1cncs1
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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