(2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol

C7H16OS — CID 88583257

IUPAC(2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol
SMILESCSCC(C)[C@H](C)CO
InChIInChI=1S/C7H16OS/c1-6(4-8)7(2)5-9-3/h6-8H,4-5H2,1-3H3/t6-,7?/m1/s1
InChIKeyKKFXAJBDBZOSMI-ULUSZKPHSA-N
MW148.27 g/mol
LogP1.61
Rot. Bonds4

About (2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol

(2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol (PubChem CID 88583257) has the molecular formula C7H16OS and a molecular weight of 148.27 g/mol. Its IUPAC name is (2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name(2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol
PubChem CID88583257
Molecular FormulaC7H16OS
Molecular Weight148.27 g/mol
Exact Mass148.09
IUPAC Name(2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol
SMILESCSCC(C)[C@H](C)CO
InChIInChI=1S/C7H16OS/c1-6(4-8)7(2)5-9-3/h6-8H,4-5H2,1-3H3/t6-,7?/m1/s1
InChIKeyKKFXAJBDBZOSMI-ULUSZKPHSA-N
XLogP1.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol?
The IUPAC name of (2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol (CID 88583257) is (2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol.
What is the SMILES notation for (2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol?
The canonical SMILES for (2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol is CSCC(C)[C@H](C)CO.
What is the InChIKey of (2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol?
The InChIKey is KKFXAJBDBZOSMI-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H16OS/c1-6(4-8)7(2)5-9-3/h6-8H,4-5H2,1-3H3/t6-,7?/m1/s1.
What are the key properties of (2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol?
(2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol has a molecular weight of 148.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-dimethyl-4-methylsulfanylbutan-1-ol is sourced from PubChem (CID 88583257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).