1-[[(1E)-1-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-(3-methoxyphenyl)thiourea

Modify Date: 2025-10-10 19:55:48

1-[[(1E)-1-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-(3-methoxyphenyl)thiourea Structure
1-[[(1E)-1-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-(3-methoxyphenyl)thiourea structure
Common Name 1-[[(1E)-1-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-(3-methoxyphenyl)thiourea
CAS Number 69326-92-7 Molecular Weight 347.38900
Density 1.498g/cm3 Boiling Point 445.5ºC at 760 mmHg
Molecular Formula C16H17N3O4S Melting Point N/A
MSDS N/A Flash Point 223.2ºC

 Names

Name 1-[[(1E)-1-(2,3-dihydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]amino]-3-(3-methoxyphenyl)thiourea
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.498g/cm3
Boiling Point 445.5ºC at 760 mmHg
Molecular Formula C16H17N3O4S
Molecular Weight 347.38900
Flash Point 223.2ºC
Exact Mass 347.09400
PSA 141.98000
LogP 3.22900
Index of Refraction 1.745
InChIKey UCEAVGYSDQDNJJ-NVMNQCDNSA-N
SMILES COc1cccc(NC(=S)NN=C(C)c2ccc(O)c(O)c2O)c1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MV1407220
CHEMICAL NAME :
Hydrazinecarbothioamide, N-(3-methoxyphenyl)-2-(1-(2,3,4-trihydroxyphenyl)ethy lidene)-
CAS REGISTRY NUMBER :
69326-92-7
LAST UPDATED :
199109
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H17-N3-O4-S
MOLECULAR WEIGHT :
347.42

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
RCOCB8 Research Communications in Chemical Pathology and Pharmacology. (PJD Pub. Ltd., P.O. Box 966, Westbury, NY 11590) V.1- 1970- Volume(issue)/page/year: 22,291,1978

 Synonyms

N-(3-Methoxyphenyl)-2-(1-(2,3,4-trihydroxyphenyl)ethylidene)hydrazinecarbothioamide
Hydrazinecarbothioamide,N-(3-methoxyphenyl)-2-(1-(2,3,4-trihydroxyphenyl)ethylidene)
Acetophenone,2,3,4-trihydroxy-,4-(m-methoxyphenyl)-3-thiosemicarbazone
4-(m-Methoxyphenyl)-1-(2,3,4-trihydroxyacetophenone)-3-thiosemicarbazone
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