1-(thian-2-ylmethyl)cyclohexan-1-ol

C12H22OS — CID 115073797

IUPAC1-(thian-2-ylmethyl)cyclohexan-1-ol
SMILESOC1(CC2CCCCS2)CCCCC1
InChIInChI=1S/C12H22OS/c13-12(7-3-1-4-8-12)10-11-6-2-5-9-14-11/h11,13H,1-10H2
InChIKeyCLORIKKXBDMVRV-UHFFFAOYSA-N
MW214.37 g/mol
LogP3.36
Rot. Bonds2

About 1-(thian-2-ylmethyl)cyclohexan-1-ol

1-(thian-2-ylmethyl)cyclohexan-1-ol (PubChem CID 115073797) has the molecular formula C12H22OS and a molecular weight of 214.37 g/mol. Its IUPAC name is 1-(thian-2-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(thian-2-ylmethyl)cyclohexan-1-ol
PubChem CID115073797
Molecular FormulaC12H22OS
Molecular Weight214.37 g/mol
Exact Mass214.14
IUPAC Name1-(thian-2-ylmethyl)cyclohexan-1-ol
SMILESOC1(CC2CCCCS2)CCCCC1
InChIInChI=1S/C12H22OS/c13-12(7-3-1-4-8-12)10-11-6-2-5-9-14-11/h11,13H,1-10H2
InChIKeyCLORIKKXBDMVRV-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(thian-2-yl)ethyl]cyclopentan-1-ol
CID 115073728
silane;2-(thiepan-2-ylmethyl)thiepane
CID 173274249
2-(thian-2-ylmethyl)piperidine-2-carboxylic acid
CID 115103659
thiepan-2-amine
CID 175886388
2-propan-2-yl-2-(thian-2-ylmethyl)pyrrolidine
CID 117271050
11-(thian-2-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 80612307
(2S)-2-(cyclohexylmethyl)thiolane
CID 132938767
2-(cyclooctylmethyl)thiolane
CID 163438638
2-(methoxymethyl)-2-(thian-2-ylmethyl)pyrrolidine
CID 117271873
2-[(1-hydroxycyclohexyl)methyl]cyclohexan-1-one
CID 79429302
2,4-dimethyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
CID 117228054
2-methyl-2-(thian-2-ylmethyl)-1,3-oxazolidine
CID 117227333

Frequently Asked Questions

What is the IUPAC name of 1-(thian-2-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 1-(thian-2-ylmethyl)cyclohexan-1-ol (CID 115073797) is 1-(thian-2-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(thian-2-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(thian-2-ylmethyl)cyclohexan-1-ol is OC1(CC2CCCCS2)CCCCC1.
What is the InChIKey of 1-(thian-2-ylmethyl)cyclohexan-1-ol?
The InChIKey is CLORIKKXBDMVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22OS/c13-12(7-3-1-4-8-12)10-11-6-2-5-9-14-11/h11,13H,1-10H2.
What are the key properties of 1-(thian-2-ylmethyl)cyclohexan-1-ol?
1-(thian-2-ylmethyl)cyclohexan-1-ol has a molecular weight of 214.37 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thian-2-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 115073797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).