1-(thian-3-yl)butan-1-ol

C9H18OS — CID 130518370

IUPAC1-(thian-3-yl)butan-1-ol
SMILESCCCC(O)C1CCCSC1
InChIInChI=1S/C9H18OS/c1-2-4-9(10)8-5-3-6-11-7-8/h8-10H,2-7H2,1H3
InChIKeyJAHJSEMRNZGHAC-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.29
Rot. Bonds3

About 1-(thian-3-yl)butan-1-ol

1-(thian-3-yl)butan-1-ol (PubChem CID 130518370) has the molecular formula C9H18OS and a molecular weight of 174.31 g/mol. Its IUPAC name is 1-(thian-3-yl)butan-1-ol.

Molecular Properties

Compound Name1-(thian-3-yl)butan-1-ol
PubChem CID130518370
Molecular FormulaC9H18OS
Molecular Weight174.31 g/mol
Exact Mass174.11
IUPAC Name1-(thian-3-yl)butan-1-ol
SMILESCCCC(O)C1CCCSC1
InChIInChI=1S/C9H18OS/c1-2-4-9(10)8-5-3-6-11-7-8/h8-10H,2-7H2,1H3
InChIKeyJAHJSEMRNZGHAC-UHFFFAOYSA-N
XLogP2.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-propan-2-ylcycloheptyl)butan-1-ol
CID 83050929
3-amino-1-(thiolan-3-yl)propan-1-ol
CID 82652261
3-ethyl-1-(thiolan-3-yl)heptan-1-ol
CID 105080644
(1R)-1-(thietan-3-yl)propan-1-ol
CID 96732659
1-(thiolan-3-yl)pent-4-yn-1-ol
CID 105098646
2-(1,3-diethylpyrazol-5-yl)-1-(thian-3-yl)ethanol
CID 114283090
3-[(thian-3-ylamino)methyl]hexan-1-ol
CID 115882200
1-cyclopropyl-2-(thian-3-ylamino)ethanol
CID 63295321
4-amino-2-(thian-3-yl)butan-1-ol
CID 115017955
2-(cyclobutylamino)-1-(thiolan-3-yl)ethanol
CID 117237110
azetidin-3-yl(thian-3-yl)methanol
CID 130518351
3-(oxolan-2-yl)-1-(thiolan-3-yl)propan-1-ol
CID 105105032

Frequently Asked Questions

What is the IUPAC name of 1-(thian-3-yl)butan-1-ol?
The IUPAC name of 1-(thian-3-yl)butan-1-ol (CID 130518370) is 1-(thian-3-yl)butan-1-ol.
What is the SMILES notation for 1-(thian-3-yl)butan-1-ol?
The canonical SMILES for 1-(thian-3-yl)butan-1-ol is CCCC(O)C1CCCSC1.
What is the InChIKey of 1-(thian-3-yl)butan-1-ol?
The InChIKey is JAHJSEMRNZGHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18OS/c1-2-4-9(10)8-5-3-6-11-7-8/h8-10H,2-7H2,1H3.
What are the key properties of 1-(thian-3-yl)butan-1-ol?
1-(thian-3-yl)butan-1-ol has a molecular weight of 174.31 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-3-yl)butan-1-ol is sourced from PubChem (CID 130518370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).