3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile

C8H10N2S3 — CID 615499

IUPAC3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile
SMILESCCSc1nsc(SCC)c1C#N
InChIInChI=1S/C8H10N2S3/c1-3-11-7-6(5-9)8(12-4-2)13-10-7/h3-4H2,1-2H3
InChIKeyFOOCZCXVGQZTTN-UHFFFAOYSA-N
MW230.38 g/mol
LogP3.24
Rot. Bonds4

About 3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile

3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile (PubChem CID 615499) has the molecular formula C8H10N2S3 and a molecular weight of 230.38 g/mol. Its IUPAC name is 3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile
PubChem CID615499
Molecular FormulaC8H10N2S3
Molecular Weight230.38 g/mol
Exact Mass230.00
IUPAC Name3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile
SMILESCCSc1nsc(SCC)c1C#N
InChIInChI=1S/C8H10N2S3/c1-3-11-7-6(5-9)8(12-4-2)13-10-7/h3-4H2,1-2H3
InChIKeyFOOCZCXVGQZTTN-UHFFFAOYSA-N
XLogP3.24
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Bis(prop-2-YN-1-ylsulfanyl)-1,2-thiazole-4-carbonitrile
CID 2803060
3,5-Bis((2-oxopropyl)thio)-4-isothiazolecarbonitrile
CID 698750
3,5-Bis(propylthio)-4-isothiazolecarbonitrile
CID 612236
3,5-Bis(methylthio)isothiazole-4-carbonitrile
CID 305631
4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(methylthio)-
CID 212486
4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(methylthio)-
CID 3055438
4-Isothiazolecarbonitrile, 3-((cyanomethyl)thio)-5-(propylthio)-
CID 3077779
Acetamide, 2-((4-cyano-5-(propylthio)-3-isothiazolyl)thio)-
CID 3077781
Acetamide, 2-((4-cyano-3-(propylthio)-5-isothiazolyl)thio)-
CID 3077789
4-Isothiazolecarbonitrile, 5-((cyanomethyl)thio)-3-(propylthio)-
CID 3077801
3,5-Bis(2-ethylsulfonylethylsulfanyl)-1,2-thiazole-4-carbonitrile
CID 1932188
3,5-Dicyclopentylthioisothiazole-4-carbonitrile
CID 3142097

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile (CID 615499) is 3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile is CCSc1nsc(SCC)c1C#N.
What is the InChIKey of 3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile?
The InChIKey is FOOCZCXVGQZTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S3/c1-3-11-7-6(5-9)8(12-4-2)13-10-7/h3-4H2,1-2H3.
What are the key properties of 3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile?
3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile has a molecular weight of 230.38 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(ethylsulfanyl)-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 615499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).