[methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol

C4H10S3 — CID 140670311

IUPAC[methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol
SMILESC=S(C)C(S)SC
InChIInChI=1S/C4H10S3/c1-6-4(5)7(2)3/h4-5H,2H2,1,3H3
InChIKeyXWWDAGBTVGPAEF-UHFFFAOYSA-N
MW154.32 g/mol
LogP1.89
Rot. Bonds2

About [methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol

[methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol (PubChem CID 140670311) has the molecular formula C4H10S3 and a molecular weight of 154.32 g/mol. Its IUPAC name is [methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol.

Molecular Properties

Compound Name[methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol
PubChem CID140670311
Molecular FormulaC4H10S3
Molecular Weight154.32 g/mol
Exact Mass153.99
IUPAC Name[methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol
SMILESC=S(C)C(S)SC
InChIInChI=1S/C4H10S3/c1-6-4(5)7(2)3/h4-5H,2H2,1,3H3
InChIKeyXWWDAGBTVGPAEF-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol?
The IUPAC name of [methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol (CID 140670311) is [methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol.
What is the SMILES notation for [methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol?
The canonical SMILES for [methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol is C=S(C)C(S)SC.
What is the InChIKey of [methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol?
The InChIKey is XWWDAGBTVGPAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S3/c1-6-4(5)7(2)3/h4-5H,2H2,1,3H3.
What are the key properties of [methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol?
[methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol has a molecular weight of 154.32 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(methylidene)-λ4-sulfanyl]-methylsulfanylmethanethiol is sourced from PubChem (CID 140670311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).