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88310-55-8 | Carbamic acid, ethenyl-, 3,5-dimethyl-4-(methylthio)phenyl ester
CAS No: 88310-55-8 Catalog No: AG0048Q2 MDL No:
Product Description
Catalog Number:
AG0048Q2
Chemical Name:
Carbamic acid, ethenyl-, 3,5-dimethyl-4-(methylthio)phenyl ester
CAS Number:
88310-55-8
Molecular Formula:
C12H15NO2S
Molecular Weight:
237.3180
IUPAC Name:
(3,5-dimethyl-4-methylsulfanylphenyl) N-ethenylcarbamate
InChI:
InChI=1S/C12H15NO2S/c1-5-13-12(14)15-10-6-8(2)11(16-4)9(3)7-10/h5-7H,1H2,2-4H3,(H,13,14)
InChI Key:
NVJRWAKXLWPYLW-UHFFFAOYSA-N
SMILES:
CSc1c(C)cc(cc1C)OC(=O)NC=C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.317g/mol
Monoisotopic Mass:
237.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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