dimethyl-methylsulfanyl-sulfanyl-λ4-sulfane

C3H10S3 — CID 91490876

IUPACdimethyl-methylsulfanyl-sulfanyl-λ4-sulfane
SMILESCSS(C)(C)S
InChIInChI=1S/C3H10S3/c1-5-6(2,3)4/h4H,1-3H3
InChIKeyBWPWGRRUABOGJW-UHFFFAOYSA-N
MW142.31 g/mol
LogP2.17
Rot. Bonds1

About dimethyl-methylsulfanyl-sulfanyl-λ4-sulfane

dimethyl-methylsulfanyl-sulfanyl-λ4-sulfane (PubChem CID 91490876) has the molecular formula C3H10S3 and a molecular weight of 142.31 g/mol. Its IUPAC name is dimethyl-methylsulfanyl-sulfanyl-λ4-sulfane.

Molecular Properties

Compound Namedimethyl-methylsulfanyl-sulfanyl-λ4-sulfane
PubChem CID91490876
Molecular FormulaC3H10S3
Molecular Weight142.31 g/mol
Exact Mass141.99
IUPAC Namedimethyl-methylsulfanyl-sulfanyl-λ4-sulfane
SMILESCSS(C)(C)S
InChIInChI=1S/C3H10S3/c1-5-6(2,3)4/h4H,1-3H3
InChIKeyBWPWGRRUABOGJW-UHFFFAOYSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl-methylsulfanyl-sulfanyl-λ4-sulfane?
The IUPAC name of dimethyl-methylsulfanyl-sulfanyl-λ4-sulfane (CID 91490876) is dimethyl-methylsulfanyl-sulfanyl-λ4-sulfane.
What is the SMILES notation for dimethyl-methylsulfanyl-sulfanyl-λ4-sulfane?
The canonical SMILES for dimethyl-methylsulfanyl-sulfanyl-λ4-sulfane is CSS(C)(C)S.
What is the InChIKey of dimethyl-methylsulfanyl-sulfanyl-λ4-sulfane?
The InChIKey is BWPWGRRUABOGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10S3/c1-5-6(2,3)4/h4H,1-3H3.
What are the key properties of dimethyl-methylsulfanyl-sulfanyl-λ4-sulfane?
dimethyl-methylsulfanyl-sulfanyl-λ4-sulfane has a molecular weight of 142.31 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-methylsulfanyl-sulfanyl-λ4-sulfane is sourced from PubChem (CID 91490876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).