methyl 2-(dimethylaminocarbamothioylamino)benzoate

Modify Date: 2025-08-24 21:45:36

methyl 2-(dimethylaminocarbamothioylamino)benzoate Structure
methyl 2-(dimethylaminocarbamothioylamino)benzoate structure
Common Name methyl 2-(dimethylaminocarbamothioylamino)benzoate
CAS Number 102339-02-6 Molecular Weight 253.32100
Density N/A Boiling Point N/A
Molecular Formula C11H15N3O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name methyl 2-(dimethylaminocarbamothioylamino)benzoate
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C11H15N3O2S
Molecular Weight 253.32100
Exact Mass 253.08800
PSA 85.69000
LogP 1.70010
InChIKey LMUKXZWJNISFSJ-UHFFFAOYSA-N
SMILES COC(=O)c1ccccc1NC(=S)NN(C)C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VT3279750
CHEMICAL NAME :
Semicarbazide, 1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio-
CAS REGISTRY NUMBER :
102339-02-6
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H15-N3-O2-S
MOLECULAR WEIGHT :
253.35
WISWESSER LINE NOTATION :
1OVR BMYUS&MN1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
75 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07858

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

1,1-Dimethyl-4-(2-carbomethoxyphenyl)-3-thiosemicarbazide
1,1-Dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thiosemicarbazide
methyl 2(3'-dimethylaminothioureido)benzoate
Semicarbazide,1,1-dimethyl-4-(o-(methoxycarbonyl)phenyl)-3-thio
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