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Structure

2-Mercapto-3-phenyl-3,5,6,7,8,9-hexahydro-10-thia-1,3-diaza-benzo[a]azulen-4-one

CAS
59898-71-4
Catalog Number
ACM59898714
Category
Other Products
Molecular Weight
328.451
Molecular Formula
C17H16N2OS2

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Specification

IUPAC Name
3-phenyl-2-sulfanylidene-1,5,6,7,8,9-hexahydrocyclohepta[2,3]thieno[2,4-b]pyrimidin-4-one
Canonical SMILES
C1CCC2=C(CC1)SC3=C2C(=O)N(C(=S)N3)C4=CC=CC=C4
InChI Key
ZCPNPFBDYUPJBH-UHFFFAOYSA-N
Boiling Point
532ºC at 760 mmHg
Flash Point
275.6ºC
Density
1.41g/cm³
Exact Mass
328.07000
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