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89401-62-7 | 4-Thiazolecarbothioamide, 2-(4-pyridinyl)-
CAS No: 89401-62-7 Catalog No: AG003VXM MDL No:
Product Description
Catalog Number:
AG003VXM
Chemical Name:
4-Thiazolecarbothioamide, 2-(4-pyridinyl)-
CAS Number:
89401-62-7
Molecular Formula:
C9H7N3S2
Molecular Weight:
221.3020
IUPAC Name:
2-pyridin-4-yl-1,3-thiazole-4-carbothioamide
InChI:
InChI=1S/C9H7N3S2/c10-8(13)7-5-14-9(12-7)6-1-3-11-4-2-6/h1-5H,(H2,10,13)
InChI Key:
MXMQWPLMHFFOSP-UHFFFAOYSA-N
SMILES:
NC(=S)c1csc(n1)c1ccncc1
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.008g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.296g/mol
Monoisotopic Mass:
221.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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