(1S)-1-cyclopropyl-2-methylsulfanylethanol

C6H12OS — CID 89329968

IUPAC(1S)-1-cyclopropyl-2-methylsulfanylethanol
SMILESCSC[C@@H](O)C1CC1
InChIInChI=1S/C6H12OS/c1-8-4-6(7)5-2-3-5/h5-7H,2-4H2,1H3/t6-/m1/s1
InChIKeyVAOXJTVKEFMDJQ-ZCFIWIBFSA-N
MW132.23 g/mol
LogP1.12
Rot. Bonds3

About (1S)-1-cyclopropyl-2-methylsulfanylethanol

(1S)-1-cyclopropyl-2-methylsulfanylethanol (PubChem CID 89329968) has the molecular formula C6H12OS and a molecular weight of 132.23 g/mol. Its IUPAC name is (1S)-1-cyclopropyl-2-methylsulfanylethanol.

Molecular Properties

Compound Name(1S)-1-cyclopropyl-2-methylsulfanylethanol
PubChem CID89329968
Molecular FormulaC6H12OS
Molecular Weight132.23 g/mol
Exact Mass132.06
IUPAC Name(1S)-1-cyclopropyl-2-methylsulfanylethanol
SMILESCSC[C@@H](O)C1CC1
InChIInChI=1S/C6H12OS/c1-8-4-6(7)5-2-3-5/h5-7H,2-4H2,1H3/t6-/m1/s1
InChIKeyVAOXJTVKEFMDJQ-ZCFIWIBFSA-N
XLogP1.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-hydroxy-2-methylsulfanylethyl)cyclohexan-1-one
CID 58562746
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2-cyclohexylsulfanyl-1-cyclopropylethanol
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2-ethylsulfanyl-1-(4-methylcyclohexyl)ethanol
CID 65131092
1-cycloheptyl-2-ethylsulfanylethanol
CID 82931500
1-cycloheptyl-3-methylsulfanylpropan-1-ol
CID 82928181
1-(4-ethylcyclohexyl)-2-(2-methylpropylsulfanyl)ethanol
CID 65135104
(1R)-2-amino-1-cyclopropylethanol
CID 51669576
2-amino-1-cyclopropylethanol
CID 14852098
2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol
CID 65139493
1-cyclopropyl-3-methylbut-3-en-1-ol
CID 79179792
1-cyclopropyl-2-propan-2-yloxyethanol
CID 58386136

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclopropyl-2-methylsulfanylethanol?
The IUPAC name of (1S)-1-cyclopropyl-2-methylsulfanylethanol (CID 89329968) is (1S)-1-cyclopropyl-2-methylsulfanylethanol.
What is the SMILES notation for (1S)-1-cyclopropyl-2-methylsulfanylethanol?
The canonical SMILES for (1S)-1-cyclopropyl-2-methylsulfanylethanol is CSC[C@@H](O)C1CC1.
What is the InChIKey of (1S)-1-cyclopropyl-2-methylsulfanylethanol?
The InChIKey is VAOXJTVKEFMDJQ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H12OS/c1-8-4-6(7)5-2-3-5/h5-7H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of (1S)-1-cyclopropyl-2-methylsulfanylethanol?
(1S)-1-cyclopropyl-2-methylsulfanylethanol has a molecular weight of 132.23 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclopropyl-2-methylsulfanylethanol is sourced from PubChem (CID 89329968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).