3-cyclohexylthiolane

C10H18S — CID 598361

IUPAC3-cyclohexylthiolane
SMILESC1CCC(C2CCSC2)CC1
InChIInChI=1S/C10H18S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h9-10H,1-8H2
InChIKeyPDIQZZLDSQSOJT-UHFFFAOYSA-N
MW170.32 g/mol
LogP3.32
Rot. Bonds1

About 3-cyclohexylthiolane

3-cyclohexylthiolane (PubChem CID 598361) has the molecular formula C10H18S and a molecular weight of 170.32 g/mol. Its IUPAC name is 3-cyclohexylthiolane.

Molecular Properties

Compound Name3-cyclohexylthiolane
PubChem CID598361
Molecular FormulaC10H18S
Molecular Weight170.32 g/mol
Exact Mass170.11
IUPAC Name3-cyclohexylthiolane
SMILESC1CCC(C2CCSC2)CC1
InChIInChI=1S/C10H18S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h9-10H,1-8H2
InChIKeyPDIQZZLDSQSOJT-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-cyclohexylthiolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,8-Epithio-cis-p-menthane, (+-)-
CID 109332
3-Pentyltetrahydrothiophene
CID 520738
(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane
CID 45275886
4-Cyclohexylthiane
CID 543539
1,3,3a,4,5,6,7,7a-Octahydro-2-benzothiophene
CID 565574
3-Cyclohexylthiane
CID 568197
Thiophene, 3-hexyltetrahydro-
CID 568198
2-Octan-2-ylthiolane
CID 12231511
9-Methyl-6-propan-2-yl-1,4-dithiaspiro[4.5]decane
CID 12794267
1,3-Dithiolane, 2-cyclohexyl-
CID 10943244
8-Tert-butyl-1,4-dithiaspiro[4.5]decane
CID 12616133
Dodecahydrodibenzothiophene
CID 14440857

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexylthiolane?
The IUPAC name of 3-cyclohexylthiolane (CID 598361) is 3-cyclohexylthiolane.
What is the SMILES notation for 3-cyclohexylthiolane?
The canonical SMILES for 3-cyclohexylthiolane is C1CCC(C2CCSC2)CC1.
What is the InChIKey of 3-cyclohexylthiolane?
The InChIKey is PDIQZZLDSQSOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18S/c1-2-4-9(5-3-1)10-6-7-11-8-10/h9-10H,1-8H2.
What are the key properties of 3-cyclohexylthiolane?
3-cyclohexylthiolane has a molecular weight of 170.32 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylthiolane is sourced from PubChem (CID 598361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).