1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol

C10H22OS — CID 114496176

IUPAC1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol
SMILESCCC(C)SCC(C)(O)C(C)C
InChIInChI=1S/C10H22OS/c1-6-9(4)12-7-10(5,11)8(2)3/h8-9,11H,6-7H2,1-5H3
InChIKeyQPVUXUKQAIBTTE-UHFFFAOYSA-N
MW190.35 g/mol
LogP2.93
Rot. Bonds5

About 1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol

1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol (PubChem CID 114496176) has the molecular formula C10H22OS and a molecular weight of 190.35 g/mol. Its IUPAC name is 1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol
PubChem CID114496176
Molecular FormulaC10H22OS
Molecular Weight190.35 g/mol
Exact Mass190.14
IUPAC Name1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol
SMILESCCC(C)SCC(C)(O)C(C)C
InChIInChI=1S/C10H22OS/c1-6-9(4)12-7-10(5,11)8(2)3/h8-9,11H,6-7H2,1-5H3
InChIKeyQPVUXUKQAIBTTE-UHFFFAOYSA-N
XLogP2.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol (CID 114496176) is 1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol is CCC(C)SCC(C)(O)C(C)C.
What is the InChIKey of 1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol?
The InChIKey is QPVUXUKQAIBTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OS/c1-6-9(4)12-7-10(5,11)8(2)3/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol?
1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol has a molecular weight of 190.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 114496176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).