4-(3H-dithiol-3-yl)thiadiazole

C5H4N2S3 — CID 141258917

IUPAC4-(3H-dithiol-3-yl)thiadiazole
SMILESC1=CC(c2csnn2)SS1
InChIInChI=1S/C5H4N2S3/c1-2-9-10-5(1)4-3-8-7-6-4/h1-3,5H
InChIKeyTZVHCGVOZMKWNX-UHFFFAOYSA-N
MW188.30 g/mol
LogP2.49
Rot. Bonds1

About 4-(3H-dithiol-3-yl)thiadiazole

4-(3H-dithiol-3-yl)thiadiazole (PubChem CID 141258917) has the molecular formula C5H4N2S3 and a molecular weight of 188.30 g/mol. Its IUPAC name is 4-(3H-dithiol-3-yl)thiadiazole.

Molecular Properties

Compound Name4-(3H-dithiol-3-yl)thiadiazole
PubChem CID141258917
Molecular FormulaC5H4N2S3
Molecular Weight188.30 g/mol
Exact Mass187.95
IUPAC Name4-(3H-dithiol-3-yl)thiadiazole
SMILESC1=CC(c2csnn2)SS1
InChIInChI=1S/C5H4N2S3/c1-2-9-10-5(1)4-3-8-7-6-4/h1-3,5H
InChIKeyTZVHCGVOZMKWNX-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

Computed Properties (RDKit)

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

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Related Compounds

Ethyl thiadiazole
CID 13427198
4-Thioacetyl-1,2,3-thiadiazole
CID 129743940
2-(Thiadiazol-4-yl)ethanethial
CID 54156344
4-Prop-2-enylthiadiazole
CID 54454030
4-But-3-enylthiadiazole
CID 54540167
1-(Thiadiazol-4-yl)ethanethiol
CID 57115605
1-(Thiadiazol-4-yl)propane-1-thiol
CID 57280063
4-(4,5-Dihydrothiadiazol-4-yl)thiadiazole
CID 68544467
3-(Thiadiazol-4-yl)prop-1-en-1-amine
CID 69982459
4-(1-Chloroprop-2-enyl)thiadiazole
CID 70576360
3-(1,2,3-Thiadiazol-4-yl)propane-1-thiol
CID 87467849
[(1R)-1-(thiadiazol-4-yl)ethyl] thiocyanate
CID 139548415

Frequently Asked Questions

What is the IUPAC name of 4-(3H-dithiol-3-yl)thiadiazole?
The IUPAC name of 4-(3H-dithiol-3-yl)thiadiazole (CID 141258917) is 4-(3H-dithiol-3-yl)thiadiazole.
What is the SMILES notation for 4-(3H-dithiol-3-yl)thiadiazole?
The canonical SMILES for 4-(3H-dithiol-3-yl)thiadiazole is C1=CC(c2csnn2)SS1.
What is the InChIKey of 4-(3H-dithiol-3-yl)thiadiazole?
The InChIKey is TZVHCGVOZMKWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2S3/c1-2-9-10-5(1)4-3-8-7-6-4/h1-3,5H.
What are the key properties of 4-(3H-dithiol-3-yl)thiadiazole?
4-(3H-dithiol-3-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-(3H-dithiol-3-yl)thiadiazole is sourced from PubChem (CID 141258917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).