3-cyclohexylsulfanylbutan-1-ol

C10H20OS — CID 66139047

IUPAC3-cyclohexylsulfanylbutan-1-ol
SMILESCC(CCO)SC1CCCCC1
InChIInChI=1S/C10H20OS/c1-9(7-8-11)12-10-5-3-2-4-6-10/h9-11H,2-8H2,1H3
InChIKeyDHFIZHPNBNRULT-UHFFFAOYSA-N
MW188.34 g/mol
LogP2.82
Rot. Bonds4

About 3-cyclohexylsulfanylbutan-1-ol

3-cyclohexylsulfanylbutan-1-ol (PubChem CID 66139047) has the molecular formula C10H20OS and a molecular weight of 188.34 g/mol. Its IUPAC name is 3-cyclohexylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-cyclohexylsulfanylbutan-1-ol
PubChem CID66139047
Molecular FormulaC10H20OS
Molecular Weight188.34 g/mol
Exact Mass188.12
IUPAC Name3-cyclohexylsulfanylbutan-1-ol
SMILESCC(CCO)SC1CCCCC1
InChIInChI=1S/C10H20OS/c1-9(7-8-11)12-10-5-3-2-4-6-10/h9-11H,2-8H2,1H3
InChIKeyDHFIZHPNBNRULT-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylsulfanylbutan-1-ol?
The IUPAC name of 3-cyclohexylsulfanylbutan-1-ol (CID 66139047) is 3-cyclohexylsulfanylbutan-1-ol.
What is the SMILES notation for 3-cyclohexylsulfanylbutan-1-ol?
The canonical SMILES for 3-cyclohexylsulfanylbutan-1-ol is CC(CCO)SC1CCCCC1.
What is the InChIKey of 3-cyclohexylsulfanylbutan-1-ol?
The InChIKey is DHFIZHPNBNRULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20OS/c1-9(7-8-11)12-10-5-3-2-4-6-10/h9-11H,2-8H2,1H3.
What are the key properties of 3-cyclohexylsulfanylbutan-1-ol?
3-cyclohexylsulfanylbutan-1-ol has a molecular weight of 188.34 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanylbutan-1-ol is sourced from PubChem (CID 66139047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).