1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol

C10H22O2S — CID 114495243

IUPAC1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol
SMILESCC(CO)CSCC(C)(O)C(C)C
InChIInChI=1S/C10H22O2S/c1-8(2)10(4,12)7-13-6-9(3)5-11/h8-9,11-12H,5-7H2,1-4H3
InChIKeyGHIBQZUSOJIXCM-UHFFFAOYSA-N
MW206.35 g/mol
LogP1.75
Rot. Bonds6

About 1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol

1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol (PubChem CID 114495243) has the molecular formula C10H22O2S and a molecular weight of 206.35 g/mol. Its IUPAC name is 1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol
PubChem CID114495243
Molecular FormulaC10H22O2S
Molecular Weight206.35 g/mol
Exact Mass206.13
IUPAC Name1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol
SMILESCC(CO)CSCC(C)(O)C(C)C
InChIInChI=1S/C10H22O2S/c1-8(2)10(4,12)7-13-6-9(3)5-11/h8-9,11-12H,5-7H2,1-4H3
InChIKeyGHIBQZUSOJIXCM-UHFFFAOYSA-N
XLogP1.75
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol (CID 114495243) is 1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol is CC(CO)CSCC(C)(O)C(C)C.
What is the InChIKey of 1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol?
The InChIKey is GHIBQZUSOJIXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O2S/c1-8(2)10(4,12)7-13-6-9(3)5-11/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of 1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol?
1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol has a molecular weight of 206.35 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-2-methylpropyl)sulfanyl-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114495243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).