4-(1,3-dithiol-2-yl)thiadiazole

C5H4N2S3 — CID 57251423

IUPAC4-(1,3-dithiol-2-yl)thiadiazole
SMILESC1=CSC(c2csnn2)S1
InChIInChI=1S/C5H4N2S3/c1-2-9-5(8-1)4-3-10-7-6-4/h1-3,5H
InChIKeyNQMOTODIJUJDLE-UHFFFAOYSA-N
MW188.30 g/mol
LogP2.49
Rot. Bonds1

About 4-(1,3-dithiol-2-yl)thiadiazole

4-(1,3-dithiol-2-yl)thiadiazole (PubChem CID 57251423) has the molecular formula C5H4N2S3 and a molecular weight of 188.30 g/mol. Its IUPAC name is 4-(1,3-dithiol-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(1,3-dithiol-2-yl)thiadiazole
PubChem CID57251423
Molecular FormulaC5H4N2S3
Molecular Weight188.30 g/mol
Exact Mass187.95
IUPAC Name4-(1,3-dithiol-2-yl)thiadiazole
SMILESC1=CSC(c2csnn2)S1
InChIInChI=1S/C5H4N2S3/c1-2-9-5(8-1)4-3-10-7-6-4/h1-3,5H
InChIKeyNQMOTODIJUJDLE-UHFFFAOYSA-N
XLogP2.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithiol-2-yl)thiadiazole?
The IUPAC name of 4-(1,3-dithiol-2-yl)thiadiazole (CID 57251423) is 4-(1,3-dithiol-2-yl)thiadiazole.
What is the SMILES notation for 4-(1,3-dithiol-2-yl)thiadiazole?
The canonical SMILES for 4-(1,3-dithiol-2-yl)thiadiazole is C1=CSC(c2csnn2)S1.
What is the InChIKey of 4-(1,3-dithiol-2-yl)thiadiazole?
The InChIKey is NQMOTODIJUJDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S3/c1-2-9-5(8-1)4-3-10-7-6-4/h1-3,5H.
What are the key properties of 4-(1,3-dithiol-2-yl)thiadiazole?
4-(1,3-dithiol-2-yl)thiadiazole has a molecular weight of 188.30 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithiol-2-yl)thiadiazole is sourced from PubChem (CID 57251423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).