5-{[2-(Dimethylamino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl hydrosulfide

Substructure search Find similar structures

Basic information

CAS: 89723-76-2
Standard SMILES: CN(C)CCSc1n[nH]c(=S)s1
InChIKey: FBPSQQAGVARBNR-UHFFFAOYSA-N
Molecular formula: C6H11N3S3
Average molar mass: 221.4 g/mol
Monoisotopic mass: 221.01151088

Names & identifiers

Preferred name: 5-{[2-(Dimethylamino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl hydrosulfide
IUPAC: 5-[2-(dimethylamino)ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
English name: 5-{[2-(dimethylamino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl hydrosulfide
Molecular formula: C6H11N3S3
Molecular weight: 221.36664

Names & synonyms

89723-76-25-{[2-(dimethylamino)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl hydrosulfide1,3,4-Thiadiazole-2(3H)-thione, 5-[[2-(dimethylamino)ethyl]thio]-AO-780/25081017SCHEMBL5173153DTXSID603561965-[2-(dimethylamino)ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thioneSBB0961885-[2-(dimethylamino)ethylthio]-1,3,4-thiadiazole-2-thiol5-{[2-(Dimethylamino)ethyl]sulfanyl}-1,3,4-thiadiazole-2(3H)-thione

Database identifiers

CAS: 89723-76-2
PubChem CID: 820353
DTXSID: DTXSID60356196

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 110 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 12
Formal charge: 0
Complexity: 202

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…