4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione

C15H22S2 — CID 58587136

IUPAC4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione
SMILESC=C(C)C1CC2(C)C(C)CC=CC2C(=S)C1S
InChIInChI=1S/C15H22S2/c1-9(2)11-8-15(4)10(3)6-5-7-12(15)14(17)13(11)16/h5,7,10-13,16H,1,6,8H2,2-4H3
InChIKeyMVSVTZVAJFVSQS-UHFFFAOYSA-N
MW266.48 g/mol
LogP4.47
Rot. Bonds1

About 4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione

4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione (PubChem CID 58587136) has the molecular formula C15H22S2 and a molecular weight of 266.48 g/mol. Its IUPAC name is 4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione.

Molecular Properties

Compound Name4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione
PubChem CID58587136
Molecular FormulaC15H22S2
Molecular Weight266.48 g/mol
Exact Mass266.12
IUPAC Name4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione
SMILESC=C(C)C1CC2(C)C(C)CC=CC2C(=S)C1S
InChIInChI=1S/C15H22S2/c1-9(2)11-8-15(4)10(3)6-5-7-12(15)14(17)13(11)16/h5,7,10-13,16H,1,6,8H2,2-4H3
InChIKeyMVSVTZVAJFVSQS-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.48
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione?
The IUPAC name of 4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione (CID 58587136) is 4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione.
What is the SMILES notation for 4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione?
The canonical SMILES for 4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione is C=C(C)C1CC2(C)C(C)CC=CC2C(=S)C1S.
What is the InChIKey of 4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione?
The InChIKey is MVSVTZVAJFVSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22S2/c1-9(2)11-8-15(4)10(3)6-5-7-12(15)14(17)13(11)16/h5,7,10-13,16H,1,6,8H2,2-4H3.
What are the key properties of 4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione?
4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione has a molecular weight of 266.48 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dimethyl-3-prop-1-en-2-yl-2-sulfanyl-2,3,4,5,6,8a-hexahydronaphthalene-1-thione is sourced from PubChem (CID 58587136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).