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10035-90-2 | Benzenecarbothioic acid, S-cyclohexyl ester
CAS No: 10035-90-2 Catalog No: AG0001PH MDL No:
Product Description
Catalog Number:
AG0001PH
Chemical Name:
Benzenecarbothioic acid, S-cyclohexyl ester
CAS Number:
10035-90-2
Molecular Formula:
C13H16OS
Molecular Weight:
220.3305
IUPAC Name:
S-cyclohexyl benzenecarbothioate
InChI:
InChI=1S/C13H16OS/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChI Key:
FCDKVMRGXPBULA-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)SC1CCCCC1
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.092g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.33g/mol
Monoisotopic Mass:
220.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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