(Z)-3-cyclohexylhex-3-ene-1,6-dithiol

C12H22S2 — CID 87126664

IUPAC(Z)-3-cyclohexylhex-3-ene-1,6-dithiol
SMILESSCC/C=C(/CCS)C1CCCCC1
InChIInChI=1S/C12H22S2/c13-9-4-7-12(8-10-14)11-5-2-1-3-6-11/h7,11,13-14H,1-6,8-10H2/b12-7-
InChIKeyKZPVVDVHFVHANU-GHXNOFRVSA-N
MW230.44 g/mol
LogP4.13
Rot. Bonds5

About (Z)-3-cyclohexylhex-3-ene-1,6-dithiol

(Z)-3-cyclohexylhex-3-ene-1,6-dithiol (PubChem CID 87126664) has the molecular formula C12H22S2 and a molecular weight of 230.44 g/mol. Its IUPAC name is (Z)-3-cyclohexylhex-3-ene-1,6-dithiol.

Molecular Properties

Compound Name(Z)-3-cyclohexylhex-3-ene-1,6-dithiol
PubChem CID87126664
Molecular FormulaC12H22S2
Molecular Weight230.44 g/mol
Exact Mass230.12
IUPAC Name(Z)-3-cyclohexylhex-3-ene-1,6-dithiol
SMILESSCC/C=C(/CCS)C1CCCCC1
InChIInChI=1S/C12H22S2/c13-9-4-7-12(8-10-14)11-5-2-1-3-6-11/h7,11,13-14H,1-6,8-10H2/b12-7-
InChIKeyKZPVVDVHFVHANU-GHXNOFRVSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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CID 116830831
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1-cyclobutyl-3-sulfanylpropan-1-one
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[(5E)-5-iodohepta-1,5-dien-2-yl]cyclohexane
CID 89170399
(E)-1-cyclohexylpent-1-en-1-ol
CID 142446276
[(3E)-6-methylhepta-3,5-dien-3-yl]cyclohexane
CID 142840542
1-cyclohexylhex-1-en-2-ylcyclohexane
CID 164897102
S-(2-sulfanylethyl) cyclohexanecarbothioate
CID 156524567
4-cyclohexylpent-3-en-1-amine
CID 76996947
CID 140659203
CID 140659203
(E)-5-cyclohexylpent-2-ene-1-thiol
CID 88600947
5-methylhexa-1,5-dien-2-ylcyclohexane
CID 123720137

Frequently Asked Questions

What is the IUPAC name of (Z)-3-cyclohexylhex-3-ene-1,6-dithiol?
The IUPAC name of (Z)-3-cyclohexylhex-3-ene-1,6-dithiol (CID 87126664) is (Z)-3-cyclohexylhex-3-ene-1,6-dithiol.
What is the SMILES notation for (Z)-3-cyclohexylhex-3-ene-1,6-dithiol?
The canonical SMILES for (Z)-3-cyclohexylhex-3-ene-1,6-dithiol is SCC/C=C(/CCS)C1CCCCC1.
What is the InChIKey of (Z)-3-cyclohexylhex-3-ene-1,6-dithiol?
The InChIKey is KZPVVDVHFVHANU-GHXNOFRVSA-N. The full InChI is InChI=1S/C12H22S2/c13-9-4-7-12(8-10-14)11-5-2-1-3-6-11/h7,11,13-14H,1-6,8-10H2/b12-7-.
What are the key properties of (Z)-3-cyclohexylhex-3-ene-1,6-dithiol?
(Z)-3-cyclohexylhex-3-ene-1,6-dithiol has a molecular weight of 230.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-cyclohexylhex-3-ene-1,6-dithiol is sourced from PubChem (CID 87126664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).