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10220-98-1 | Benzenecarbothioamide, N-cyclohexyl-
CAS No: 10220-98-1 Catalog No: AG0006VP MDL No:
Product Description
Catalog Number:
AG0006VP
Chemical Name:
Benzenecarbothioamide, N-cyclohexyl-
CAS Number:
10220-98-1
Molecular Formula:
C13H17NS
Molecular Weight:
219.3458
IUPAC Name:
N-cyclohexylbenzenecarbothioamide
InChI:
InChI=1S/C13H17NS/c15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H,14,15)
InChI Key:
WOBYQCDJHWATRG-UHFFFAOYSA-N
SMILES:
S=C(c1ccccc1)NC1CCCCC1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.108g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.346g/mol
Monoisotopic Mass:
219.108g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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