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180791-04-2 | 4-Pyridinecarbothioamide, 2-(ethylthio)-
CAS No: 180791-04-2 Catalog No: AG0022CN MDL No:
Product Description
Catalog Number:
AG0022CN
Chemical Name:
4-Pyridinecarbothioamide, 2-(ethylthio)-
CAS Number:
180791-04-2
Molecular Formula:
C8H10N2S2
Molecular Weight:
198.3084
IUPAC Name:
2-ethylsulfanylpyridine-4-carbothioamide
InChI:
InChI=1S/C8H10N2S2/c1-2-12-7-5-6(8(9)11)3-4-10-7/h3-5H,2H2,1H3,(H2,9,11)
InChI Key:
SXHKCLNSHXDMCP-UHFFFAOYSA-N
SMILES:
CCSc1cc(ccn1)C(=S)N
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.029g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.302g/mol
Monoisotopic Mass:
198.029g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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