[2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol

C5H10S6 — CID 23069298

IUPAC[2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol
SMILESSCSC1CSC(SCS)S1
InChIInChI=1S/C5H10S6/c6-2-9-4-1-8-5(11-4)10-3-7/h4-7H,1-3H2
InChIKeyWERBOWCFUBDQPQ-UHFFFAOYSA-N
MW262.54 g/mol
LogP3.32
Rot. Bonds4

About [2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol

[2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol (PubChem CID 23069298) has the molecular formula C5H10S6 and a molecular weight of 262.54 g/mol. Its IUPAC name is [2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol.

Molecular Properties

Compound Name[2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol
PubChem CID23069298
Molecular FormulaC5H10S6
Molecular Weight262.54 g/mol
Exact Mass261.91
IUPAC Name[2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol
SMILESSCSC1CSC(SCS)S1
InChIInChI=1S/C5H10S6/c6-2-9-4-1-8-5(11-4)10-3-7/h4-7H,1-3H2
InChIKeyWERBOWCFUBDQPQ-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.54
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,4,6,9-Tetrathiaspiro[4.4]nonane
CID 139394
3,5-Di-thiaheptane-1,7-dithiol
CID 14957851
1,3-Dithiolane-2-thiol
CID 57215335
4-Mercaptomethyl-1,3-dithiolane
CID 11182708
[2-(Sulfanylmethyl)-1,3-dithiolan-2-yl]methanethiol
CID 11217854
1-[1,2-Bis(sulfanyl)ethylsulfanyl]ethane-1,2-dithiol
CID 11413324
1,3-Dithiolane-4,5-dithiol
CID 11715246
4,5-Bis(sulfanyl)-1,3-dithiolane-2-thione
CID 12048282
2-Methylsulfanyl-1,3-dithiolane
CID 14473902
3-(1,3-Dithiolan-4-ylmethylsulfanyl)propane-1-thiol
CID 17826190
1,3-Dithiolan-2-ylmethanethiol
CID 20706902
1,2,2-Tris(sulfanylmethylsulfanyl)ethylsulfanylmethanethiol
CID 21900835

Frequently Asked Questions

What is the IUPAC name of [2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol?
The IUPAC name of [2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol (CID 23069298) is [2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol.
What is the SMILES notation for [2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol?
The canonical SMILES for [2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol is SCSC1CSC(SCS)S1.
What is the InChIKey of [2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol?
The InChIKey is WERBOWCFUBDQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S6/c6-2-9-4-1-8-5(11-4)10-3-7/h4-7H,1-3H2.
What are the key properties of [2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol?
[2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol has a molecular weight of 262.54 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(sulfanylmethylsulfanyl)-1,3-dithiolan-4-yl]sulfanylmethanethiol is sourced from PubChem (CID 23069298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).