5,6,7,8-tetrahydronaphthalene-1,3-dithiol

C10H12S2 — CID 167495652

IUPAC5,6,7,8-tetrahydronaphthalene-1,3-dithiol
SMILESSc1cc(S)c2c(c1)CCCC2
InChIInChI=1S/C10H12S2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h5-6,11-12H,1-4H2
InChIKeyRYJLPBDLRBKLCM-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.14
Rot. Bonds

About 5,6,7,8-tetrahydronaphthalene-1,3-dithiol

5,6,7,8-tetrahydronaphthalene-1,3-dithiol (PubChem CID 167495652) has the molecular formula C10H12S2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 5,6,7,8-tetrahydronaphthalene-1,3-dithiol.

Molecular Properties

Compound Name5,6,7,8-tetrahydronaphthalene-1,3-dithiol
PubChem CID167495652
Molecular FormulaC10H12S2
Molecular Weight196.34 g/mol
Exact Mass196.04
IUPAC Name5,6,7,8-tetrahydronaphthalene-1,3-dithiol
SMILESSc1cc(S)c2c(c1)CCCC2
InChIInChI=1S/C10H12S2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h5-6,11-12H,1-4H2
InChIKeyRYJLPBDLRBKLCM-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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Related Compounds

3-sulfanyl-5,6,7,8-tetrahydronaphthalen-1-ol
CID 149178517
tricyclo[11.4.0.02,7]heptadeca-1(13),2(7),3,5,14,16-hexaene-5,15-dithiol
CID 102172596
5,6,7,8-tetrahydronaphthalene-1,2-dithiol
CID 154521771
1-hydroxy-5,6,7,8-tetrahydro-2H-isoquinolin-3-one
CID 54751722
ethane;methane;9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene
CID 142513105
1,3-dichloro-5,6,7,8,9,10-hexahydrocycloocta[c]pyridine
CID 12533018
5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
CID 71371462
4-thionitroso-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene
CID 162519096
3-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 84668554
1,2,3,6,7,8,9,10-octahydrocyclohepta[e]inden-4-ol
CID 102314511
1,2,3,4,5,6,7,8-octahydrophenanthren-9-ylboronic acid
CID 142716441
ethane;4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 145378366

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydronaphthalene-1,3-dithiol?
The IUPAC name of 5,6,7,8-tetrahydronaphthalene-1,3-dithiol (CID 167495652) is 5,6,7,8-tetrahydronaphthalene-1,3-dithiol.
What is the SMILES notation for 5,6,7,8-tetrahydronaphthalene-1,3-dithiol?
The canonical SMILES for 5,6,7,8-tetrahydronaphthalene-1,3-dithiol is Sc1cc(S)c2c(c1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydronaphthalene-1,3-dithiol?
The InChIKey is RYJLPBDLRBKLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S2/c11-8-5-7-3-1-2-4-9(7)10(12)6-8/h5-6,11-12H,1-4H2.
What are the key properties of 5,6,7,8-tetrahydronaphthalene-1,3-dithiol?
5,6,7,8-tetrahydronaphthalene-1,3-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-1,3-dithiol is sourced from PubChem (CID 167495652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).