(trimethyl-λ4-sulfanyl)sulfanylmethanethiol

C4H12S3 — CID 89073229

IUPAC(trimethyl-λ4-sulfanyl)sulfanylmethanethiol
SMILESCS(C)(C)SCS
InChIInChI=1S/C4H12S3/c1-7(2,3)6-4-5/h5H,4H2,1-3H3
InChIKeyZQTRMRMUEOJEJG-UHFFFAOYSA-N
MW156.34 g/mol
LogP2.22
Rot. Bonds2

About (trimethyl-λ4-sulfanyl)sulfanylmethanethiol

(trimethyl-λ4-sulfanyl)sulfanylmethanethiol (PubChem CID 89073229) has the molecular formula C4H12S3 and a molecular weight of 156.34 g/mol. Its IUPAC name is (trimethyl-λ4-sulfanyl)sulfanylmethanethiol.

Molecular Properties

Compound Name(trimethyl-λ4-sulfanyl)sulfanylmethanethiol
PubChem CID89073229
Molecular FormulaC4H12S3
Molecular Weight156.34 g/mol
Exact Mass156.01
IUPAC Name(trimethyl-λ4-sulfanyl)sulfanylmethanethiol
SMILESCS(C)(C)SCS
InChIInChI=1S/C4H12S3/c1-7(2,3)6-4-5/h5H,4H2,1-3H3
InChIKeyZQTRMRMUEOJEJG-UHFFFAOYSA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 (trimethyl-λ4-sulfanyl)sulfanylmethanethiol?
The IUPAC name of (trimethyl-λ4-sulfanyl)sulfanylmethanethiol (CID 89073229) is (trimethyl-λ4-sulfanyl)sulfanylmethanethiol.
What is the SMILES notation for (trimethyl-λ4-sulfanyl)sulfanylmethanethiol?
The canonical SMILES for (trimethyl-λ4-sulfanyl)sulfanylmethanethiol is CS(C)(C)SCS.
What is the InChIKey of (trimethyl-λ4-sulfanyl)sulfanylmethanethiol?
The InChIKey is ZQTRMRMUEOJEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12S3/c1-7(2,3)6-4-5/h5H,4H2,1-3H3.
What are the key properties of (trimethyl-λ4-sulfanyl)sulfanylmethanethiol?
(trimethyl-λ4-sulfanyl)sulfanylmethanethiol has a molecular weight of 156.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (trimethyl-λ4-sulfanyl)sulfanylmethanethiol is sourced from PubChem (CID 89073229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).