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Structure

5-p-Tolylamino-[1,3,4]thiadiazole-2-thiol

CAS
14731-25-0
Catalog Number
ACM14731250
Category
Other Products
Molecular Weight
223.32
Molecular Formula
C9H9N3S2

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Specification

Synonyms
Oprea1_272092, STOCK5S-78923, MolPort-000-869-288, MolPort-002-652-706, NSC135812, CID707007, NCI60_000804, S 00596, SR-01000635908-1, 14731-25-0, InChI=1/C9H9N3S2/c1-6-2-4-7(5-3-6)10-8-11-12-9(13)14-8/h2-5H,1H3,(H,10,11)(H,12,13
IUPAC Name
5-(4-methylanilino)-3H-1,3,4-thiadiazole-2-thione
Canonical SMILES
CC1=CC=C(C=C1)NC2=NNC(=S)S2
InChI Key
UDHJCFUNVNFOLP-UHFFFAOYSA-N
Boiling Point
332.7ºC at 760mmHg
Flash Point
155ºC
Density
1.42g/cm³
Exact Mass
223.02400
H-Bond Acceptor
2
H-Bond Donor
2
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