1-methylcyclopent-2-ene-1-thiol

C6H10S — CID 22712750

IUPAC1-methylcyclopent-2-ene-1-thiol
SMILESCC1(S)C=CCC1
InChIInChI=1S/C6H10S/c1-6(7)4-2-3-5-6/h2,4,7H,3,5H2,1H3
InChIKeyVULLSJLNBADKAM-UHFFFAOYSA-N
MW114.21 g/mol
LogP2.02
Rot. Bonds

About 1-methylcyclopent-2-ene-1-thiol

1-methylcyclopent-2-ene-1-thiol (PubChem CID 22712750) has the molecular formula C6H10S and a molecular weight of 114.21 g/mol. Its IUPAC name is 1-methylcyclopent-2-ene-1-thiol.

Molecular Properties

Compound Name1-methylcyclopent-2-ene-1-thiol
PubChem CID22712750
Molecular FormulaC6H10S
Molecular Weight114.21 g/mol
Exact Mass114.05
IUPAC Name1-methylcyclopent-2-ene-1-thiol
SMILESCC1(S)C=CCC1
InChIInChI=1S/C6H10S/c1-6(7)4-2-3-5-6/h2,4,7H,3,5H2,1H3
InChIKeyVULLSJLNBADKAM-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.21
LogP ≤ 52.02
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'}

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Related Compounds

1,6-Octadiene-3-thiol, 3,7-dimethyl-
CID 170239
(1R)-1-methylcyclohex-2-ene-1-thiol
CID 11159340
CID 12608832
CID 12608832
(E)-3,7,11-trimethyldodeca-1,6,10-triene-3-thiol
CID 14110211
Cyclopent-2-en-1-ylmethanethiol
CID 20648648
3,7,11-Trimethyldodeca-1,6,10-triene-3-thiol
CID 53994341
1-Methylcyclohex-2-ene-1-thiol
CID 85419885
3-Methylcyclopentene;sulfane
CID 90110103
Bicyclo[2.2.1]hepta-2,5-diene-2-thiol
CID 121485650
2-Methyloct-5-ene-2-thiol
CID 123577373
(2Z)-7-methylnona-2,8-diene-2-thiol
CID 129307226
(5E,9Z)-4-methylundeca-5,9-diene-5,6-dithiol
CID 137420399

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopent-2-ene-1-thiol?
The IUPAC name of 1-methylcyclopent-2-ene-1-thiol (CID 22712750) is 1-methylcyclopent-2-ene-1-thiol.
What is the SMILES notation for 1-methylcyclopent-2-ene-1-thiol?
The canonical SMILES for 1-methylcyclopent-2-ene-1-thiol is CC1(S)C=CCC1.
What is the InChIKey of 1-methylcyclopent-2-ene-1-thiol?
The InChIKey is VULLSJLNBADKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S/c1-6(7)4-2-3-5-6/h2,4,7H,3,5H2,1H3.
What are the key properties of 1-methylcyclopent-2-ene-1-thiol?
1-methylcyclopent-2-ene-1-thiol has a molecular weight of 114.21 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopent-2-ene-1-thiol is sourced from PubChem (CID 22712750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).