methane;(methyldisulfanyl)methane;methylsulfanylmethane

C5H16S3 — CID 158100363

IUPACmethane;(methyldisulfanyl)methane;methylsulfanylmethane
SMILESC.CSC.CSSC
InChIInChI=1S/C2H6S2.C2H6S.CH4/c1-3-4-2;1-3-2;/h1-2H3;1-2H3;1H4
InChIKeyFPEJHDYBRVCNMQ-UHFFFAOYSA-N
MW172.38 g/mol
LogP3.24
Rot. Bonds1

About methane;(methyldisulfanyl)methane;methylsulfanylmethane

methane;(methyldisulfanyl)methane;methylsulfanylmethane (PubChem CID 158100363) has the molecular formula C5H16S3 and a molecular weight of 172.38 g/mol. Its IUPAC name is methane;(methyldisulfanyl)methane;methylsulfanylmethane.

Molecular Properties

Compound Namemethane;(methyldisulfanyl)methane;methylsulfanylmethane
PubChem CID158100363
Molecular FormulaC5H16S3
Molecular Weight172.38 g/mol
Exact Mass172.04
IUPAC Namemethane;(methyldisulfanyl)methane;methylsulfanylmethane
SMILESC.CSC.CSSC
InChIInChI=1S/C2H6S2.C2H6S.CH4/c1-3-4-2;1-3-2;/h1-2H3;1-2H3;1H4
InChIKeyFPEJHDYBRVCNMQ-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methane;(methyldisulfanyl)methane;methylsulfanylmethane?
The IUPAC name of methane;(methyldisulfanyl)methane;methylsulfanylmethane (CID 158100363) is methane;(methyldisulfanyl)methane;methylsulfanylmethane.
What is the SMILES notation for methane;(methyldisulfanyl)methane;methylsulfanylmethane?
The canonical SMILES for methane;(methyldisulfanyl)methane;methylsulfanylmethane is C.CSC.CSSC.
What is the InChIKey of methane;(methyldisulfanyl)methane;methylsulfanylmethane?
The InChIKey is FPEJHDYBRVCNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S2.C2H6S.CH4/c1-3-4-2;1-3-2;/h1-2H3;1-2H3;1H4.
What are the key properties of methane;(methyldisulfanyl)methane;methylsulfanylmethane?
methane;(methyldisulfanyl)methane;methylsulfanylmethane has a molecular weight of 172.38 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(methyldisulfanyl)methane;methylsulfanylmethane is sourced from PubChem (CID 158100363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).