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793697-46-8 | 3-Cyclohexene-1,2-diol, 3-(methylthio)-, (1S,2S)-
CAS No: 793697-46-8 Catalog No: AG005K9Z MDL No:
Product Description
Catalog Number:
AG005K9Z
Chemical Name:
3-Cyclohexene-1,2-diol, 3-(methylthio)-, (1S,2S)-
CAS Number:
793697-46-8
Molecular Formula:
C7H12O2S
Molecular Weight:
160.2340
IUPAC Name:
(1S,2S)-3-methylsulfanylcyclohex-3-ene-1,2-diol
InChI:
InChI=1S/C7H12O2S/c1-10-6-4-2-3-5(8)7(6)9/h4-5,7-9H,2-3H2,1H3/t5-,7-/m0/s1
InChI Key:
RRAUCJHHJIEYIY-FSPLSTOPSA-N
SMILES:
CSC1=CCC[C@@H]([C@@H]1O)O
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
160.056g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
160.231g/mol
Monoisotopic Mass:
160.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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