1,2-bis(ethylsulfanyl)-1-methylsulfanylethane

C7H16S3 — CID 167045986

IUPAC1,2-bis(ethylsulfanyl)-1-methylsulfanylethane
SMILESCCSCC(SC)SCC
InChIInChI=1S/C7H16S3/c1-4-9-6-7(8-3)10-5-2/h7H,4-6H2,1-3H3
InChIKeyJATUKLAGELELDN-UHFFFAOYSA-N
MW196.41 g/mol
LogP3.18
Rot. Bonds6

About 1,2-bis(ethylsulfanyl)-1-methylsulfanylethane

1,2-bis(ethylsulfanyl)-1-methylsulfanylethane (PubChem CID 167045986) has the molecular formula C7H16S3 and a molecular weight of 196.41 g/mol. Its IUPAC name is 1,2-bis(ethylsulfanyl)-1-methylsulfanylethane.

Molecular Properties

Compound Name1,2-bis(ethylsulfanyl)-1-methylsulfanylethane
PubChem CID167045986
Molecular FormulaC7H16S3
Molecular Weight196.41 g/mol
Exact Mass196.04
IUPAC Name1,2-bis(ethylsulfanyl)-1-methylsulfanylethane
SMILESCCSCC(SC)SCC
InChIInChI=1S/C7H16S3/c1-4-9-6-7(8-3)10-5-2/h7H,4-6H2,1-3H3
InChIKeyJATUKLAGELELDN-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.41
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1,2-bis(ethylsulfanyl)-1-methylsulfanylethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-2,3-bis(ethylsulfanyl)propane
CID 71445887
(2S)-1-ethylsulfanylpropan-2-ol
CID 10866320
2-ethylsulfanyl-1-methylsulfanylpropane
CID 86127985
1-ethylsulfanyl-2,3-difluoropropane
CID 59155139
ethylsulfanylethane;phosphane
CID 88694996
ethylsulfanylethane;propane
CID 159168091
4-ethylsulfanyl-2,3-dimethylbutan-1-ol
CID 142075292
2-chloro-3-ethylsulfanylpropan-1-ol
CID 13308623
ethane;1-ethylsulfanyl-2-methylpentane
CID 143279191
4,4-bis(ethylsulfanyl)butan-1-ol
CID 71424924
2-amino-3-ethylsulfanylpropanenitrile;ethane;molecular hydrogen
CID 142227857
(2-ethylsulfanyl-1-phosphonoethyl)phosphonic acid
CID 14064014

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethylsulfanyl)-1-methylsulfanylethane?
The IUPAC name of 1,2-bis(ethylsulfanyl)-1-methylsulfanylethane (CID 167045986) is 1,2-bis(ethylsulfanyl)-1-methylsulfanylethane.
What is the SMILES notation for 1,2-bis(ethylsulfanyl)-1-methylsulfanylethane?
The canonical SMILES for 1,2-bis(ethylsulfanyl)-1-methylsulfanylethane is CCSCC(SC)SCC.
What is the InChIKey of 1,2-bis(ethylsulfanyl)-1-methylsulfanylethane?
The InChIKey is JATUKLAGELELDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16S3/c1-4-9-6-7(8-3)10-5-2/h7H,4-6H2,1-3H3.
What are the key properties of 1,2-bis(ethylsulfanyl)-1-methylsulfanylethane?
1,2-bis(ethylsulfanyl)-1-methylsulfanylethane has a molecular weight of 196.41 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethylsulfanyl)-1-methylsulfanylethane is sourced from PubChem (CID 167045986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).