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Structure

Benzonitrile,2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-5-nitro-

CAS
175135-68-9
Catalog Number
ACM175135689
Category
Other Products
Molecular Weight
279.3035
Molecular Formula
C9H5 N5 O2 S2

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Specification

Synonyms
175135-68-9, 2-[(5-Amino-1,3,4-thiadiazol-2-yl)thio]-5-nitrobenzonitrile, ST51040700, 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitrobenzonitrile, ZINC02170038, AC1MCOZO, Oprea1_005954, CTK4D5213, MolPort-000-141-797, CCG-49451, AKOS015912159, AG-E-24802, RP06610, KB-83015, FT-0610825, Y7863, SR-01000638902-1, I14-35393, 2-(5-amino(1,3,4-thiadiazol-2-ylthio))-5-nitrobenzenecarbonitrile, Benzonitrile,2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-5-nitro-
IUPAC Name
2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-5-nitrobenzonitrile
Canonical SMILES
C1=CC(=C(C=C1[N+](=O)[O-])C#N)SC2=NN=C(S2)N
InChI Key
JNPWQAVABOYLKJ-UHFFFAOYSA-N
Boiling Point
545.4ºC at 760 mmHg
Melting Point
245-246ºC
Flash Point
283.6ºC
Density
1.69g/cm³
Exact Mass
278.98800
Hazard Statements
Xn:Harmful;
H-Bond Acceptor
8
H-Bond Donor
1
Safety Description
S36/37
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