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1638-93-3 | Cyclopentanethiol, 2-methyl-, (1R,2R)-rel-
CAS No: 1638-93-3 Catalog No: AG001UEY MDL No:
Product Description
Catalog Number:
AG001UEY
Chemical Name:
Cyclopentanethiol, 2-methyl-, (1R,2R)-rel-
CAS Number:
1638-93-3
Molecular Formula:
C6H12S
Molecular Weight:
116.2245
IUPAC Name:
(1R,2R)-2-methylcyclopentane-1-thiol
InChI:
InChI=1S/C6H12S/c1-5-3-2-4-6(5)7/h5-7H,2-4H2,1H3/t5-,6-/m1/s1
InChI Key:
FRXFKSPCPCSYJR-PHDIDXHHSA-N
SMILES:
S[C@@H]1CCC[C@H]1C
Properties
Complexity:
61.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
116.066g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
116.222g/mol
Monoisotopic Mass:
116.066g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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