1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol

C15H24S3 — CID 88750780

IUPAC1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol
SMILESC=CC(S)C1CCCCC1(C(S)C=C)C(S)C=C
InChIInChI=1S/C15H24S3/c1-4-12(16)11-9-7-8-10-15(11,13(17)5-2)14(18)6-3/h4-6,11-14,16-18H,1-3,7-10H2
InChIKeyYGUZGPSPBNFYNA-UHFFFAOYSA-N
MW300.56 g/mol
LogP4.62
Rot. Bonds6

About 1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol

1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol (PubChem CID 88750780) has the molecular formula C15H24S3 and a molecular weight of 300.56 g/mol. Its IUPAC name is 1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol.

Molecular Properties

Compound Name1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol
PubChem CID88750780
Molecular FormulaC15H24S3
Molecular Weight300.56 g/mol
Exact Mass300.10
IUPAC Name1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol
SMILESC=CC(S)C1CCCCC1(C(S)C=C)C(S)C=C
InChIInChI=1S/C15H24S3/c1-4-12(16)11-9-7-8-10-15(11,13(17)5-2)14(18)6-3/h4-6,11-14,16-18H,1-3,7-10H2
InChIKeyYGUZGPSPBNFYNA-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.56
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol?
The IUPAC name of 1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol (CID 88750780) is 1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol.
What is the SMILES notation for 1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol?
The canonical SMILES for 1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol is C=CC(S)C1CCCCC1(C(S)C=C)C(S)C=C.
What is the InChIKey of 1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol?
The InChIKey is YGUZGPSPBNFYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24S3/c1-4-12(16)11-9-7-8-10-15(11,13(17)5-2)14(18)6-3/h4-6,11-14,16-18H,1-3,7-10H2.
What are the key properties of 1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol?
1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol has a molecular weight of 300.56 g/mol, XLogP of 4.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-bis(1-sulfanylprop-2-enyl)cyclohexyl]prop-2-ene-1-thiol is sourced from PubChem (CID 88750780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).