1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane

C6H14S3 — CID 12687136

IUPAC1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane
SMILESCSC(C)SC(C)SC
InChIInChI=1S/C6H14S3/c1-5(7-3)9-6(2)8-4/h5-6H,1-4H3
InChIKeyIFUYFWGLFPVEHA-UHFFFAOYSA-N
MW182.38 g/mol
LogP3.14
Rot. Bonds4

About 1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane

1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane (PubChem CID 12687136) has the molecular formula C6H14S3 and a molecular weight of 182.38 g/mol. Its IUPAC name is 1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane.

Molecular Properties

Compound Name1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane
PubChem CID12687136
Molecular FormulaC6H14S3
Molecular Weight182.38 g/mol
Exact Mass182.03
IUPAC Name1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane
SMILESCSC(C)SC(C)SC
InChIInChI=1S/C6H14S3/c1-5(7-3)9-6(2)8-4/h5-6H,1-4H3
InChIKeyIFUYFWGLFPVEHA-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl sulfide
CID 9609
2,4,6-Trimethyl-1,3,5-trithiane
CID 17696
2-Methyl-1,3-dithiolane
CID 21828
3,5-Dimethyl-1,2,4-trithiolane
CID 32033
3-Methyl-1,2,4-trithiane
CID 65290
Ethane, 1,1-bis(ethylthio)-
CID 139711
2,5-Dithiahexane
CID 23110
1-(1-Sulfanylpropylsulfanyl)propane-1-thiol
CID 18185507
3,6-Dithiaoctane
CID 79375
Tris(ethylthio)methane
CID 80441
Methyl 1-(methylthio)propyl disulfide
CID 521472
1,3-Dithiolane, 2,2-dimethyl-
CID 22332

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane?
The IUPAC name of 1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane (CID 12687136) is 1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane.
What is the SMILES notation for 1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane?
The canonical SMILES for 1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane is CSC(C)SC(C)SC.
What is the InChIKey of 1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane?
The InChIKey is IFUYFWGLFPVEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14S3/c1-5(7-3)9-6(2)8-4/h5-6H,1-4H3.
What are the key properties of 1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane?
1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane has a molecular weight of 182.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-1-(1-methylsulfanylethylsulfanyl)ethane is sourced from PubChem (CID 12687136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).