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101491-88-7 | Carbamic acid, mercaptomethyl-, 3-(1-methylethyl)phenyl ester (9CI)
CAS No: 101491-88-7 Catalog No: AG0004MG MDL No:
Product Description
Catalog Number:
AG0004MG
Chemical Name:
Carbamic acid, mercaptomethyl-, 3-(1-methylethyl)phenyl ester (9CI)
CAS Number:
101491-88-7
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
IUPAC Name:
(3-propan-2-ylphenyl) N-methyl-N-sulfanylcarbamate
InChI:
InChI=1S/C11H15NO2S/c1-8(2)9-5-4-6-10(7-9)14-11(13)12(3)15/h4-8,15H,1-3H3
InChI Key:
QPJGONVSRFMVHE-UHFFFAOYSA-N
SMILES:
SCNC(=O)Oc1cccc(c1)C(C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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