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83150-78-1 | (R)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol
CAS No: 83150-78-1 Catalog No: AG004W07 MDL No:
Product Description
Catalog Number:
AG004W07
Chemical Name:
(R)-alpha,alpha,4-Trimethylcyclohex-3-ene-1-methanethiol
CAS Number:
83150-78-1
Molecular Formula:
C10H18S
Molecular Weight:
170.3149
IUPAC Name:
2-[(1R)-4-methylcyclohex-3-en-1-yl]propane-2-thiol
InChI:
InChI=1S/C10H18S/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m0/s1
InChI Key:
ZQPCOAKGRYBBMR-VIFPVBQESA-N
SMILES:
CC1=CC[C@@H](CC1)C(S)(C)C
EC Number:
280-198-5
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
170.113g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
170.314g/mol
Monoisotopic Mass:
170.113g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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