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88413-34-7 | Benzenecarbothioamide, N-(2-methyl-1-propenyl)-
CAS No: 88413-34-7 Catalog No: AG004EX5 MDL No:
Product Description
Catalog Number:
AG004EX5
Chemical Name:
Benzenecarbothioamide, N-(2-methyl-1-propenyl)-
CAS Number:
88413-34-7
Molecular Formula:
C11H13NS
Molecular Weight:
191.2926
IUPAC Name:
N-(2-methylprop-1-enyl)benzenecarbothioamide
InChI:
InChI=1S/C11H13NS/c1-9(2)8-12-11(13)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,12,13)
InChI Key:
YEYNWDADKRFNGS-UHFFFAOYSA-N
SMILES:
S=C(c1ccccc1)NC=C(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.292g/mol
Monoisotopic Mass:
191.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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