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180791-06-4 | 4-Pyridinecarbothioamide, 2-(butylthio)-
CAS No: 180791-06-4 Catalog No: AG0022CM MDL No:
Product Description
Catalog Number:
AG0022CM
Chemical Name:
4-Pyridinecarbothioamide, 2-(butylthio)-
CAS Number:
180791-06-4
Molecular Formula:
C10H14N2S2
Molecular Weight:
226.3616
IUPAC Name:
2-butylsulfanylpyridine-4-carbothioamide
InChI:
InChI=1S/C10H14N2S2/c1-2-3-6-14-9-7-8(10(11)13)4-5-12-9/h4-5,7H,2-3,6H2,1H3,(H2,11,13)
InChI Key:
FGRYDANKHNKLDP-UHFFFAOYSA-N
SMILES:
CCCCSc1cc(ccn1)C(=S)N
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.06g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.356g/mol
Monoisotopic Mass:
226.06g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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