cyclohept-4-ene-1,2-dithiol

C7H12S2 — CID 175095549

IUPACcyclohept-4-ene-1,2-dithiol
SMILESSC1CC=CCCC1S
InChIInChI=1S/C7H12S2/c8-6-4-2-1-3-5-7(6)9/h1-2,6-9H,3-5H2
InChIKeySMFFSXOZORZBQY-UHFFFAOYSA-N
MW160.31 g/mol
LogP2.32
Rot. Bonds

About cyclohept-4-ene-1,2-dithiol

cyclohept-4-ene-1,2-dithiol (PubChem CID 175095549) has the molecular formula C7H12S2 and a molecular weight of 160.31 g/mol. Its IUPAC name is cyclohept-4-ene-1,2-dithiol.

Molecular Properties

Compound Namecyclohept-4-ene-1,2-dithiol
PubChem CID175095549
Molecular FormulaC7H12S2
Molecular Weight160.31 g/mol
Exact Mass160.04
IUPAC Namecyclohept-4-ene-1,2-dithiol
SMILESSC1CC=CCCC1S
InChIInChI=1S/C7H12S2/c8-6-4-2-1-3-5-7(6)9/h1-2,6-9H,3-5H2
InChIKeySMFFSXOZORZBQY-UHFFFAOYSA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.31
LogP ≤ 52.32
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

cyclooct-5-ene-1,3-dithiol
CID 175095546
cyclodeca-3,8-diene-1,6-dithiol
CID 91096756
(1R,2R)-1,2-di(cyclohex-3-en-1-yl)ethane-1,2-diol
CID 102217580
N-methylcyclohex-3-en-1-amine
CID 12702515
4-cyclopentylcyclohexene
CID 524571
4-methylcyclohexene;propane
CID 143195942
4-ethynylcyclohexene
CID 524215
4-nitrosocyclohexene
CID 86185585
(4R)-4-(iodomethyl)cyclohexene
CID 11770032
cyclohex-3-en-1-ylhydrazine
CID 101115759
1-[(1R)-cyclohex-3-en-1-yl]ethenol
CID 166940864
(1S,8S)-bicyclo[6.1.0]non-4-ene
CID 95564639

Frequently Asked Questions

What is the IUPAC name of cyclohept-4-ene-1,2-dithiol?
The IUPAC name of cyclohept-4-ene-1,2-dithiol (CID 175095549) is cyclohept-4-ene-1,2-dithiol.
What is the SMILES notation for cyclohept-4-ene-1,2-dithiol?
The canonical SMILES for cyclohept-4-ene-1,2-dithiol is SC1CC=CCCC1S.
What is the InChIKey of cyclohept-4-ene-1,2-dithiol?
The InChIKey is SMFFSXOZORZBQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12S2/c8-6-4-2-1-3-5-7(6)9/h1-2,6-9H,3-5H2.
What are the key properties of cyclohept-4-ene-1,2-dithiol?
cyclohept-4-ene-1,2-dithiol has a molecular weight of 160.31 g/mol, XLogP of 2.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohept-4-ene-1,2-dithiol is sourced from PubChem (CID 175095549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).