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89332-93-4 | Cyclohexanecarbothioamide, N-methyl-
CAS No: 89332-93-4 Catalog No: AG003YEA MDL No:
Product Description
Catalog Number:
AG003YEA
Chemical Name:
Cyclohexanecarbothioamide, N-methyl-
CAS Number:
89332-93-4
Molecular Formula:
C8H15NS
Molecular Weight:
157.2764
IUPAC Name:
N-methylcyclohexanecarbothioamide
InChI:
InChI=1S/C8H15NS/c1-9-8(10)7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,10)
InChI Key:
LOGCNNAFZIWMLK-UHFFFAOYSA-N
SMILES:
CNC(=S)C1CCCCC1
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.093g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
157.275g/mol
Monoisotopic Mass:
157.093g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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