1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol

C4H10S5 — CID 141415810

IUPAC1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol
SMILESSCSCSC(S)CS
InChIInChI=1S/C4H10S5/c5-1-4(7)9-3-8-2-6/h4-7H,1-3H2
InChIKeyQKMPRMIDBGIBAT-UHFFFAOYSA-N
MW218.46 g/mol
LogP2.48
Rot. Bonds5

About 1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol

1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol (PubChem CID 141415810) has the molecular formula C4H10S5 and a molecular weight of 218.46 g/mol. Its IUPAC name is 1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol.

Molecular Properties

Compound Name1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol
PubChem CID141415810
Molecular FormulaC4H10S5
Molecular Weight218.46 g/mol
Exact Mass217.94
IUPAC Name1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol
SMILESSCSCSC(S)CS
InChIInChI=1S/C4H10S5/c5-1-4(7)9-3-8-2-6/h4-7H,1-3H2
InChIKeyQKMPRMIDBGIBAT-UHFFFAOYSA-N
XLogP2.48
TPSA0.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.46
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

sulfanylmethylsulfanylmethylsulfanylmethanethiol
CID 15824431
1-(disulfanyl)ethane-1,2-dithiol
CID 174625480
3-(sulfanylmethylsulfanyl)propane-1,2-dithiol
CID 23503994
3-(sulfanylmethylsulfanylmethylsulfanyl)propane-1-thiol
CID 139816281
3-[2,3-bis(sulfanyl)propylsulfanylmethylsulfanylmethylsulfanylmethylsulfanyl]propane-1,2-dithiol
CID 23072578
4-(sulfanylmethylsulfanylmethylsulfanyl)butane-1-thiol
CID 139816252
methane;3-(sulfanylmethylsulfanyl)-2-[1-sulfanyl-3-(sulfanylmethylsulfanyl)propan-2-yl]sulfanylpropane-1-thiol
CID 159406281
1,1,6,6-tetrakis(sulfanylmethylsulfanyl)hexane-3,4-dithiol
CID 156700219
butane-1,2,3,4-tetrathiol
CID 18541669
3-[2-[2,3-bis(sulfanyl)propylsulfanyl]-3-sulfanylpropyl]sulfanylpropane-1,2-dithiol
CID 161244767
3,4-bis(2-sulfanylethylsulfanyl)butane-1,2,4-trithiol
CID 158677450
2-[1,2-bis(sulfanylmethylsulfanyl)ethylsulfanyl]ethanethiol
CID 158891475

Frequently Asked Questions

What is the IUPAC name of 1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol?
The IUPAC name of 1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol (CID 141415810) is 1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol.
What is the SMILES notation for 1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol?
The canonical SMILES for 1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol is SCSCSC(S)CS.
What is the InChIKey of 1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol?
The InChIKey is QKMPRMIDBGIBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S5/c5-1-4(7)9-3-8-2-6/h4-7H,1-3H2.
What are the key properties of 1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol?
1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol has a molecular weight of 218.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(sulfanylmethylsulfanylmethylsulfanyl)ethane-1,2-dithiol is sourced from PubChem (CID 141415810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).