3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile

C7H3N5S3 — CID 23659328

IUPAC3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Sc1n[nH]c(=S)s1
InChIInChI=1S/C7H3N5S3/c8-3-4-5(10-2-1-9-4)14-7-12-11-6(13)15-7/h1-2H,(H,11,13)
InChIKeyUNJLGBSXWFPNOL-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.01
Rot. Bonds2

About 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile

3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile (PubChem CID 23659328) has the molecular formula C7H3N5S3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile
PubChem CID23659328
Molecular FormulaC7H3N5S3
Molecular Weight253.34 g/mol
Exact Mass252.96
IUPAC Name3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1Sc1n[nH]c(=S)s1
InChIInChI=1S/C7H3N5S3/c8-3-4-5(10-2-1-9-4)14-7-12-11-6(13)15-7/h1-2H,(H,11,13)
InChIKeyUNJLGBSXWFPNOL-UHFFFAOYSA-N
XLogP2.01
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile (CID 23659328) is 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile is N#Cc1nccnc1Sc1n[nH]c(=S)s1.
What is the InChIKey of 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile?
The InChIKey is UNJLGBSXWFPNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3N5S3/c8-3-4-5(10-2-1-9-4)14-7-12-11-6(13)15-7/h1-2H,(H,11,13).
What are the key properties of 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile?
3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile has a molecular weight of 253.34 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]pyrazine-2-carbonitrile is sourced from PubChem (CID 23659328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).