ethylsulfanylmethanethiol;methane

C4H12S2 — CID 158074860

IUPACethylsulfanylmethanethiol;methane
SMILESC.CCSCS
InChIInChI=1S/C3H8S2.CH4/c1-2-5-3-4;/h4H,2-3H2,1H3;1H4
InChIKeyFMGBIUAWIAMLHG-UHFFFAOYSA-N
MW124.27 g/mol
LogP2.26
Rot. Bonds2

About ethylsulfanylmethanethiol;methane

ethylsulfanylmethanethiol;methane (PubChem CID 158074860) has the molecular formula C4H12S2 and a molecular weight of 124.27 g/mol. Its IUPAC name is ethylsulfanylmethanethiol;methane.

Molecular Properties

Compound Nameethylsulfanylmethanethiol;methane
PubChem CID158074860
Molecular FormulaC4H12S2
Molecular Weight124.27 g/mol
Exact Mass124.04
IUPAC Nameethylsulfanylmethanethiol;methane
SMILESC.CCSCS
InChIInChI=1S/C3H8S2.CH4/c1-2-5-3-4;/h4H,2-3H2,1H3;1H4
InChIKeyFMGBIUAWIAMLHG-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.27
LogP ≤ 52.26
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': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethylsulfanylethane;propane
CID 159168091
ethylsulfanylethane;phosphane
CID 88694996
sulfanylmethylsulfanylmethylsulfanylmethanethiol
CID 15824431
ethylsulfanylethane;palladium;dichloride
CID 101326267
6-ethylsulfanylhexane-1-thiol
CID 23423869
1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane
CID 121008102
CID 174755451
CID 174755451
(methyldisulfanyl)methylsulfanylethane
CID 86158213
2-ethyl-2-(ethylsulfanylmethyl)butane-1-thiol
CID 14219677
(1,2-13C2)ethanethiol
CID 169439901
1-ethylsulfanyl-2-methylpropane-2-thiol
CID 10749357
buta-1,3-diene;ethylsulfanylethane
CID 88659093

Frequently Asked Questions

What is the IUPAC name of ethylsulfanylmethanethiol;methane?
The IUPAC name of ethylsulfanylmethanethiol;methane (CID 158074860) is ethylsulfanylmethanethiol;methane.
What is the SMILES notation for ethylsulfanylmethanethiol;methane?
The canonical SMILES for ethylsulfanylmethanethiol;methane is C.CCSCS.
What is the InChIKey of ethylsulfanylmethanethiol;methane?
The InChIKey is FMGBIUAWIAMLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8S2.CH4/c1-2-5-3-4;/h4H,2-3H2,1H3;1H4.
What are the key properties of ethylsulfanylmethanethiol;methane?
ethylsulfanylmethanethiol;methane has a molecular weight of 124.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylmethanethiol;methane is sourced from PubChem (CID 158074860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).