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144303-96-8 | Carbamic acid, N-[2-(methylthio)phenyl]-, 1,1-dimethylethyl ester
CAS No: 144303-96-8 Catalog No: AG001JA4 MDL No:MFCD21170415
Product Description
Catalog Number:
AG001JA4
Chemical Name:
Carbamic acid, N-[2-(methylthio)phenyl]-, 1,1-dimethylethyl ester
CAS Number:
144303-96-8
Molecular Formula:
C12H17NO2S
Molecular Weight:
239.3339
MDL Number:
MFCD21170415
IUPAC Name:
tert-butyl N-(2-methylsulfanylphenyl)carbamate
InChI:
InChI=1S/C12H17NO2S/c1-12(2,3)15-11(14)13-9-7-5-6-8-10(9)16-4/h5-8H,1-4H3,(H,13,14)
InChI Key:
BUKWUUUUGKOREC-UHFFFAOYSA-N
SMILES:
CSc1ccccc1NC(=O)OC(C)(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.333g/mol
Monoisotopic Mass:
239.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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