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143765-02-0 | Cyclohexanecarbothioic acid, S-[2-(acetylamino)ethyl] ester
CAS No: 143765-02-0 Catalog No: AG001IC9 MDL No:
Product Description
Catalog Number:
AG001IC9
Chemical Name:
Cyclohexanecarbothioic acid, S-[2-(acetylamino)ethyl] ester
CAS Number:
143765-02-0
Molecular Formula:
C11H19NO2S
Molecular Weight:
229.3391
IUPAC Name:
S-(2-acetamidoethyl) cyclohexanecarbothioate
InChI:
InChI=1S/C11H19NO2S/c1-9(13)12-7-8-15-11(14)10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,12,13)
InChI Key:
CGDLYRNYJORDEX-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)SCCNC(=O)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.114g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
229.338g/mol
Monoisotopic Mass:
229.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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