(1S)-1-prop-2-enylcyclohex-2-ene-1-thiol

C9H14S — CID 11378623

IUPAC(1S)-1-prop-2-enylcyclohex-2-ene-1-thiol
SMILESC=CC[C@]1(S)C=CCCC1
InChIInChI=1S/C9H14S/c1-2-6-9(10)7-4-3-5-8-9/h2,4,7,10H,1,3,5-6,8H2/t9-/m0/s1
InChIKeyKTPSXSYJBCLVGF-VIFPVBQESA-N
MW154.28 g/mol
LogP2.97
Rot. Bonds2

About (1S)-1-prop-2-enylcyclohex-2-ene-1-thiol

(1S)-1-prop-2-enylcyclohex-2-ene-1-thiol (PubChem CID 11378623) has the molecular formula C9H14S and a molecular weight of 154.28 g/mol. Its IUPAC name is (1S)-1-prop-2-enylcyclohex-2-ene-1-thiol.

Molecular Properties

Compound Name(1S)-1-prop-2-enylcyclohex-2-ene-1-thiol
PubChem CID11378623
Molecular FormulaC9H14S
Molecular Weight154.28 g/mol
Exact Mass154.08
IUPAC Name(1S)-1-prop-2-enylcyclohex-2-ene-1-thiol
SMILESC=CC[C@]1(S)C=CCCC1
InChIInChI=1S/C9H14S/c1-2-6-9(10)7-4-3-5-8-9/h2,4,7,10H,1,3,5-6,8H2/t9-/m0/s1
InChIKeyKTPSXSYJBCLVGF-VIFPVBQESA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (1S)-1-prop-2-enylcyclohex-2-ene-1-thiol 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

3-(Prop-2-en-1-yl)cyclohex-1-ene
CID 139918
3-Cyclohexene-1-methanethiol
CID 12299207
3-(b-Mercaptoethyl)cyclohexene
CID 14172617
3-Vinyl-1,2-dithiocyclohex-5-ene
CID 129847992
3-(Cyclohex-2-en-1-yl)propane-1-thiol
CID 12396317
(1R)-1-methylcyclohex-2-ene-1-thiol
CID 11159340
(1R)-1-hexylcyclohex-2-ene-1-thiol
CID 101224644
1-(2-Methylbutyl)cyclohexa-2,5-diene-1-thiol
CID 20494920
3-Cyclohexylprop-2-ene-1-thiol
CID 54572501
CID 59269409
CID 59269409
CID 59269701
CID 59269701
1-Methylcyclohex-2-ene-1-thiol
CID 85419885

Frequently Asked Questions

What is the IUPAC name of (1S)-1-prop-2-enylcyclohex-2-ene-1-thiol?
The IUPAC name of (1S)-1-prop-2-enylcyclohex-2-ene-1-thiol (CID 11378623) is (1S)-1-prop-2-enylcyclohex-2-ene-1-thiol.
What is the SMILES notation for (1S)-1-prop-2-enylcyclohex-2-ene-1-thiol?
The canonical SMILES for (1S)-1-prop-2-enylcyclohex-2-ene-1-thiol is C=CC[C@]1(S)C=CCCC1.
What is the InChIKey of (1S)-1-prop-2-enylcyclohex-2-ene-1-thiol?
The InChIKey is KTPSXSYJBCLVGF-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14S/c1-2-6-9(10)7-4-3-5-8-9/h2,4,7,10H,1,3,5-6,8H2/t9-/m0/s1.
What are the key properties of (1S)-1-prop-2-enylcyclohex-2-ene-1-thiol?
(1S)-1-prop-2-enylcyclohex-2-ene-1-thiol has a molecular weight of 154.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-prop-2-enylcyclohex-2-ene-1-thiol is sourced from PubChem (CID 11378623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).