5,6,7,8-tetrahydronaphthalene-1,2-dithiol

C10H12S2 — CID 154521771

IUPAC5,6,7,8-tetrahydronaphthalene-1,2-dithiol
SMILESSc1ccc2c(c1S)CCCC2
InChIInChI=1S/C10H12S2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h5-6,11-12H,1-4H2
InChIKeyMHULMRPHMXDQDF-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.14
Rot. Bonds

About 5,6,7,8-tetrahydronaphthalene-1,2-dithiol

5,6,7,8-tetrahydronaphthalene-1,2-dithiol (PubChem CID 154521771) has the molecular formula C10H12S2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalene-1,2-dithiol.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalene-1,2-dithiol
PubChem CID154521771
Molecular FormulaC10H12S2
Molecular Weight196.34 g/mol
Exact Mass196.04
IUPAC Name5,6,7,8-tetrahydronaphthalene-1,2-dithiol
SMILESSc1ccc2c(c1S)CCCC2
InChIInChI=1S/C10H12S2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h5-6,11-12H,1-4H2
InChIKeyMHULMRPHMXDQDF-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalene-1,2-dithiol?
The IUPAC name of 5,6,7,8-tetrahydronaphthalene-1,2-dithiol (CID 154521771) is 5,6,7,8-tetrahydronaphthalene-1,2-dithiol.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalene-1,2-dithiol?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalene-1,2-dithiol is Sc1ccc2c(c1S)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalene-1,2-dithiol?
The InChIKey is MHULMRPHMXDQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h5-6,11-12H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydronaphthalene-1,2-dithiol?
5,6,7,8-tetrahydronaphthalene-1,2-dithiol has a molecular weight of 196.34 g/mol, XLogP of 3.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydronaphthalene-1,2-dithiol is sourced from PubChem (CID 154521771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).