(sulfanylmethyltrisulfanyl)methanethiol

C2H6S5 — CID 158238857

IUPAC(sulfanylmethyltrisulfanyl)methanethiol
SMILESSCSSSCS
InChIInChI=1S/C2H6S5/c3-1-5-7-6-2-4/h3-4H,1-2H2
InChIKeyPGZXTKSFVFXRDK-UHFFFAOYSA-N
MW190.41 g/mol
LogP2.79
Rot. Bonds4

About (sulfanylmethyltrisulfanyl)methanethiol

(sulfanylmethyltrisulfanyl)methanethiol (PubChem CID 158238857) has the molecular formula C2H6S5 and a molecular weight of 190.41 g/mol. Its IUPAC name is (sulfanylmethyltrisulfanyl)methanethiol.

Molecular Properties

Compound Name(sulfanylmethyltrisulfanyl)methanethiol
PubChem CID158238857
Molecular FormulaC2H6S5
Molecular Weight190.41 g/mol
Exact Mass189.91
IUPAC Name(sulfanylmethyltrisulfanyl)methanethiol
SMILESSCSSSCS
InChIInChI=1S/C2H6S5/c3-1-5-7-6-2-4/h3-4H,1-2H2
InChIKeyPGZXTKSFVFXRDK-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', '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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Frequently Asked Questions

What is the IUPAC name of (sulfanylmethyltrisulfanyl)methanethiol?
The IUPAC name of (sulfanylmethyltrisulfanyl)methanethiol (CID 158238857) is (sulfanylmethyltrisulfanyl)methanethiol.
What is the SMILES notation for (sulfanylmethyltrisulfanyl)methanethiol?
The canonical SMILES for (sulfanylmethyltrisulfanyl)methanethiol is SCSSSCS.
What is the InChIKey of (sulfanylmethyltrisulfanyl)methanethiol?
The InChIKey is PGZXTKSFVFXRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S5/c3-1-5-7-6-2-4/h3-4H,1-2H2.
What are the key properties of (sulfanylmethyltrisulfanyl)methanethiol?
(sulfanylmethyltrisulfanyl)methanethiol has a molecular weight of 190.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (sulfanylmethyltrisulfanyl)methanethiol is sourced from PubChem (CID 158238857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).