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89136-88-9 | Carbamic acid, cyclohexyl-, 2-mercaptoethyl ester
CAS No: 89136-88-9 Catalog No: AG003WXL MDL No:
Product Description
Catalog Number:
AG003WXL
Chemical Name:
Carbamic acid, cyclohexyl-, 2-mercaptoethyl ester
CAS Number:
89136-88-9
Molecular Formula:
C9H17NO2S
Molecular Weight:
203.3018
IUPAC Name:
2-sulfanylethyl N-cyclohexylcarbamate
InChI:
InChI=1S/C9H17NO2S/c11-9(12-6-7-13)10-8-4-2-1-3-5-8/h8,13H,1-7H2,(H,10,11)
InChI Key:
XSKVVMZLATZHLM-UHFFFAOYSA-N
SMILES:
SCCOC(=O)NC1CCCCC1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.098g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.3g/mol
Monoisotopic Mass:
203.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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