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

Analyze 1-butan-2-ylsulfanyl-2,3-dimethylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Pentanol, 5-[(1,1-dimethylethyl)thio]-2-methyl-
CID 12301010
(3S,4R)-3,4-dimethylthiolan-3-ol
CID 101935842
4-[3-(3-Hydroxy-3-methylbutyl)sulfanylpropylsulfanyl]-2-methylbutan-2-ol
CID 9965529
4-(Ethylsulfanyl)-2-methylbutan-2-ol
CID 12056374
4-[2-(3-Hydroxy-3-methylbutyl)sulfanylethylsulfanyl]-2-methylbutan-2-ol
CID 20633429
4-Propan-2-ylthian-4-ol
CID 45096107
1-Butylsulfanyl-2-methylpropan-2-ol
CID 53699490
2,3-Dimethyl-3-methylsulfanylbutan-2-ol
CID 54519433
(3S)-3-ethylsulfanyl-2,4-dimethylpentan-2-ol
CID 58469113
(3S)-2,4-dimethyl-3-methylsulfanylpentan-2-ol
CID 58469513
2-(Thietan-3-yl)propan-2-ol
CID 67527453
3-Ethylsulfanyl-2,4-dimethylpentan-2-ol
CID 76795835

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).