(3-methylcyclohexyl)-(thian-2-yl)methanol

C13H24OS — CID 80621362

IUPAC(3-methylcyclohexyl)-(thian-2-yl)methanol
SMILESCC1CCCC(C(O)C2CCCCS2)C1
InChIInChI=1S/C13H24OS/c1-10-5-4-6-11(9-10)13(14)12-7-2-3-8-15-12/h10-14H,2-9H2,1H3
InChIKeyRFIGYYVDCJCBGN-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.46
Rot. Bonds2

About (3-methylcyclohexyl)-(thian-2-yl)methanol

(3-methylcyclohexyl)-(thian-2-yl)methanol (PubChem CID 80621362) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is (3-methylcyclohexyl)-(thian-2-yl)methanol.

Molecular Properties

Compound Name(3-methylcyclohexyl)-(thian-2-yl)methanol
PubChem CID80621362
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Name(3-methylcyclohexyl)-(thian-2-yl)methanol
SMILESCC1CCCC(C(O)C2CCCCS2)C1
InChIInChI=1S/C13H24OS/c1-10-5-4-6-11(9-10)13(14)12-7-2-3-8-15-12/h10-14H,2-9H2,1H3
InChIKeyRFIGYYVDCJCBGN-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methylcyclohexyl)-(thian-2-yl)methanol?
The IUPAC name of (3-methylcyclohexyl)-(thian-2-yl)methanol (CID 80621362) is (3-methylcyclohexyl)-(thian-2-yl)methanol.
What is the SMILES notation for (3-methylcyclohexyl)-(thian-2-yl)methanol?
The canonical SMILES for (3-methylcyclohexyl)-(thian-2-yl)methanol is CC1CCCC(C(O)C2CCCCS2)C1.
What is the InChIKey of (3-methylcyclohexyl)-(thian-2-yl)methanol?
The InChIKey is RFIGYYVDCJCBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS/c1-10-5-4-6-11(9-10)13(14)12-7-2-3-8-15-12/h10-14H,2-9H2,1H3.
What are the key properties of (3-methylcyclohexyl)-(thian-2-yl)methanol?
(3-methylcyclohexyl)-(thian-2-yl)methanol has a molecular weight of 228.40 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclohexyl)-(thian-2-yl)methanol is sourced from PubChem (CID 80621362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).