CAS
13906-05-3 Purity
98%
13906-05-3 Purity
98%
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2-thioxo-2,3-dihydroquinazolin-4(1H)-one
CAS
13906-09-7
Catalog Number
ACM13906097
Category
Other Products
Molecular Weight
178.21
Molecular Formula
C8H6N2OS
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Specification
Synonyms
2-Mercapto-4(3H)-quinazolinone, 158828_ALDRICH, ZERO/005698, EINECS 237-676-3, ZINC00050221, ZINC00281748, 2,3-Dihydro-2-thioxoquinazolin-4(1H)-one, EU-0066865, 4(1H)-Quinazolinone, 2,3-dihydro-2-thioxo-, 13906-09-7, InChI=1/C8H6N2OS/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12
IUPAC Name
2-sulfanylidene-1H-quinazolin-4-one
Canonical SMILES
C1=CC=C2C(=C1)C(=O)NC(=S)N2
InChI Key
PUPFOFVEHDNUJU-UHFFFAOYSA-N
Boiling Point
330.5ºC at 760mmHg
Melting Point
>300ºC(lit.)
Flash Point
153.7ºC
Density
1.46g/cm³
EC Number
237-676-3
Exact Mass
178.02000
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
1
H-Bond Donor
2
Safety Description
26-37/39
WGK Germany
3
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