3-methyl-1-(thian-4-yl)butan-2-ol

C10H20OS — CID 105133542

IUPAC3-methyl-1-(thian-4-yl)butan-2-ol
SMILESCC(C)C(O)CC1CCSCC1
InChIInChI=1S/C10H20OS/c1-8(2)10(11)7-9-3-5-12-6-4-9/h8-11H,3-7H2,1-2H3
InChIKeyRXGGEABHOCVTJT-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.54
Rot. Bonds3

About 3-methyl-1-(thian-4-yl)butan-2-ol

3-methyl-1-(thian-4-yl)butan-2-ol (PubChem CID 105133542) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-methyl-1-(thian-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(thian-4-yl)butan-2-ol
PubChem CID105133542
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name3-methyl-1-(thian-4-yl)butan-2-ol
SMILESCC(C)C(O)CC1CCSCC1
InChIInChI=1S/C10H20OS/c1-8(2)10(11)7-9-3-5-12-6-4-9/h8-11H,3-7H2,1-2H3
InChIKeyRXGGEABHOCVTJT-UHFFFAOYSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105102503
4-ethyl-1-(thian-4-yl)hexan-2-ol
CID 105122477
3,3-dimethyl-1-(thian-4-yl)butan-2-amine
CID 105145988
1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105104403
3-methyl-1-(3-methylcyclohexyl)butan-2-ol
CID 79422374
1-(3,3-difluorocyclopentyl)-3-(thian-4-yl)propan-2-ol
CID 114225887
(3S)-3-(2-methylpropyl)thiolane
CID 89392788
2-(thian-4-yl)-1-(2,4,5-trimethylphenyl)ethanol
CID 105103480
1-(6-methyl-3-pyridinyl)-2-(thian-4-yl)ethanol
CID 105096815
1-(3-methyltriazol-4-yl)-2-(thian-4-yl)ethanol
CID 105128683
1-cyclopentyl-N-(thian-4-ylmethyl)propan-2-amine
CID 115755933
1-[4-(2-hydroxypropyl)cyclohexyl]propan-2-ol
CID 19387430

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(thian-4-yl)butan-2-ol?
The IUPAC name of 3-methyl-1-(thian-4-yl)butan-2-ol (CID 105133542) is 3-methyl-1-(thian-4-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(thian-4-yl)butan-2-ol?
The canonical SMILES for 3-methyl-1-(thian-4-yl)butan-2-ol is CC(C)C(O)CC1CCSCC1.
What is the InChIKey of 3-methyl-1-(thian-4-yl)butan-2-ol?
The InChIKey is RXGGEABHOCVTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-8(2)10(11)7-9-3-5-12-6-4-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 3-methyl-1-(thian-4-yl)butan-2-ol?
3-methyl-1-(thian-4-yl)butan-2-ol has a molecular weight of 188.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(thian-4-yl)butan-2-ol is sourced from PubChem (CID 105133542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).