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Structure

4-Benzyl-5-thioxo-[1,2,4]triazolidin-3-one

CAS
119482-69-8
Catalog Number
ACM119482698
Category
Other Products
Molecular Weight
207.251
Molecular Formula
C9H9N3OS

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Specification

Synonyms
Maybridge4_004456, MolPort-002-464-655, MolPort-002-924-100, ZINC03249568, HMS1533K12, HMS1761J04, SPB 01971, CID2366666, EN300-05837, 119482-69-8
IUPAC Name
4-benzyl-5-sulfanylidene-1,2,4-triazolidin-3-one
Canonical SMILES
C1=CC=C(C=C1)CN2C(=O)NNC2=S
InChI Key
NVHZYKDMJINPIN-UHFFFAOYSA-N
Boiling Point
457.8ºC at 760mmHg
Flash Point
230.7ºC
Density
1.42g/cm³
Exact Mass
207.04700
H-Bond Acceptor
1
H-Bond Donor
2
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