decane-1,2-dithiol

C10H22S2 — CID 11229528

IUPACdecane-1,2-dithiol
SMILESCCCCCCCCC(S)CS
InChIInChI=1S/C10H22S2/c1-2-3-4-5-6-7-8-10(12)9-11/h10-12H,2-9H2,1H3
InChIKeyVCUWJPJPQDKSHA-UHFFFAOYSA-N
MW206.42 g/mol
LogP3.97
Rot. Bonds8

About decane-1,2-dithiol

decane-1,2-dithiol (PubChem CID 11229528) has the molecular formula C10H22S2 and a molecular weight of 206.42 g/mol. Its IUPAC name is decane-1,2-dithiol.

Molecular Properties

Compound Namedecane-1,2-dithiol
PubChem CID11229528
Molecular FormulaC10H22S2
Molecular Weight206.42 g/mol
Exact Mass206.12
IUPAC Namedecane-1,2-dithiol
SMILESCCCCCCCCC(S)CS
InChIInChI=1S/C10H22S2/c1-2-3-4-5-6-7-8-10(12)9-11/h10-12H,2-9H2,1H3
InChIKeyVCUWJPJPQDKSHA-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dodecane-6-thiol
CID 18757094
tetratriacontane-1,17-dithiol
CID 57207387
1-aminotetradecane-2-thiol
CID 151563194
2-pentyloctane-1-thiol
CID 170312154
2-methyldecane-1-thiol
CID 57124133
2-methylicosane-1-thiol
CID 87259428
1-aminooctacosane-10-thiol
CID 123711859
1-aminoundecane-6-thiol
CID 175712027
hexadecane-6,7-dithiol
CID 91163003
docosane-10,11-dithiol
CID 123269259
(9S,10S)-octadecane-9,10-dithiol
CID 98118372
5-sulfanylhexadecane-1,1-diol
CID 57290183

Frequently Asked Questions

What is the IUPAC name of decane-1,2-dithiol?
The IUPAC name of decane-1,2-dithiol (CID 11229528) is decane-1,2-dithiol.
What is the SMILES notation for decane-1,2-dithiol?
The canonical SMILES for decane-1,2-dithiol is CCCCCCCCC(S)CS.
What is the InChIKey of decane-1,2-dithiol?
The InChIKey is VCUWJPJPQDKSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S2/c1-2-3-4-5-6-7-8-10(12)9-11/h10-12H,2-9H2,1H3.
What are the key properties of decane-1,2-dithiol?
decane-1,2-dithiol has a molecular weight of 206.42 g/mol, XLogP of 3.97, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1,2-dithiol is sourced from PubChem (CID 11229528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).