dimethyl-bis(methylsulfanyl)-λ4-sulfane

C4H12S3 — CID 129089669

IUPACdimethyl-bis(methylsulfanyl)-λ4-sulfane
SMILESCSS(C)(C)SC
InChIInChI=1S/C4H12S3/c1-5-7(3,4)6-2/h1-4H3
InChIKeyDFRFSXLCJVIKQQ-UHFFFAOYSA-N
MW156.34 g/mol
LogP2.61
Rot. Bonds2

About dimethyl-bis(methylsulfanyl)-λ4-sulfane

dimethyl-bis(methylsulfanyl)-λ4-sulfane (PubChem CID 129089669) has the molecular formula C4H12S3 and a molecular weight of 156.34 g/mol. Its IUPAC name is dimethyl-bis(methylsulfanyl)-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-bis(methylsulfanyl)-λ4-sulfane
PubChem CID129089669
Molecular FormulaC4H12S3
Molecular Weight156.34 g/mol
Exact Mass156.01
IUPAC Namedimethyl-bis(methylsulfanyl)-λ4-sulfane
SMILESCSS(C)(C)SC
InChIInChI=1S/C4H12S3/c1-5-7(3,4)6-2/h1-4H3
InChIKeyDFRFSXLCJVIKQQ-UHFFFAOYSA-N
XLogP2.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.34
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

CID 399848
CID 399848
CID 138491
CID 138491
CID 2737115
CID 2737115
CID 15839130
CID 15839130
CID 21998023
CID 21998023
CID 3969419
CID 3969419
CID 91184170
CID 91184170
CID 129766599
CID 129766599
CID 134872062
CID 134872062
CID 4579760
CID 4579760
CID 20073165
CID 20073165
CID 44609430
CID 44609430

Frequently Asked Questions

What is the IUPAC name of dimethyl-bis(methylsulfanyl)-λ4-sulfane?
The IUPAC name of dimethyl-bis(methylsulfanyl)-λ4-sulfane (CID 129089669) is dimethyl-bis(methylsulfanyl)-λ4-sulfane.
What is the SMILES notation for dimethyl-bis(methylsulfanyl)-λ4-sulfane?
The canonical SMILES for dimethyl-bis(methylsulfanyl)-λ4-sulfane is CSS(C)(C)SC.
What is the InChIKey of dimethyl-bis(methylsulfanyl)-λ4-sulfane?
The InChIKey is DFRFSXLCJVIKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12S3/c1-5-7(3,4)6-2/h1-4H3.
What are the key properties of dimethyl-bis(methylsulfanyl)-λ4-sulfane?
dimethyl-bis(methylsulfanyl)-λ4-sulfane has a molecular weight of 156.34 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-bis(methylsulfanyl)-λ4-sulfane is sourced from PubChem (CID 129089669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).