[4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol

C5H10S7 — CID 22238770

IUPAC[4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol
SMILESSCSC1SCSC(SCS)S1
InChIInChI=1S/C5H10S7/c6-1-8-4-10-3-11-5(12-4)9-2-7/h4-7H,1-3H2
InChIKeyRSHJFVDBGSFKQF-UHFFFAOYSA-N
MW294.60 g/mol
LogP3.97
Rot. Bonds4

About [4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol

[4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol (PubChem CID 22238770) has the molecular formula C5H10S7 and a molecular weight of 294.60 g/mol. Its IUPAC name is [4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol.

Molecular Properties

Compound Name[4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol
PubChem CID22238770
Molecular FormulaC5H10S7
Molecular Weight294.60 g/mol
Exact Mass293.88
IUPAC Name[4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol
SMILESSCSC1SCSC(SCS)S1
InChIInChI=1S/C5H10S7/c6-1-8-4-10-3-11-5(12-4)9-2-7/h4-7H,1-3H2
InChIKeyRSHJFVDBGSFKQF-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.60
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol?
The IUPAC name of [4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol (CID 22238770) is [4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol.
What is the SMILES notation for [4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol?
The canonical SMILES for [4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol is SCSC1SCSC(SCS)S1.
What is the InChIKey of [4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol?
The InChIKey is RSHJFVDBGSFKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S7/c6-1-8-4-10-3-11-5(12-4)9-2-7/h4-7H,1-3H2.
What are the key properties of [4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol?
[4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol has a molecular weight of 294.60 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(sulfanylmethylsulfanyl)-1,3,5-trithian-2-yl]sulfanylmethanethiol is sourced from PubChem (CID 22238770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).