Carbamimidothioic acid,(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, monohydrobromide (9CI)

Modify Date: 2025-09-27 11:33:33

Carbamimidothioic acid,(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, monohydrobromide (9CI) Structure
Carbamimidothioic acid,(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, monohydrobromide (9CI) structure
 Common Name Carbamimidothioic acid,(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, monohydrobromide (9CI)
CAS Number 64039-42-5 Molecular Weight 316.17400
Density N/A Boiling Point 399.7ºC at 760mmHg
Molecular Formula C10H10BrN3O2S Melting Point N/A
MSDS N/A Flash Point 195.5ºC

 Names

Name (1,3-dioxoisoindol-2-yl)methyl carbamimidothioate
Synonym More Synonyms

 Chemical & Physical Properties

Boiling Point 399.7ºC at 760mmHg
Molecular Formula C10H10BrN3O2S
Molecular Weight 316.17400
Flash Point 195.5ºC
Exact Mass 314.96800
PSA 112.55000
LogP 2.56280

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UN1050000
CHEMICAL NAME :
Pseudourea, 2-phthalimidomethyl-2-thio-, hydrobromide
CAS REGISTRY NUMBER :
64039-42-5
LAST UPDATED :
199012
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C10-H9-N3-O2-S.Br-H
MOLECULAR WEIGHT :
316.20
WISWESSER LINE NOTATION :
MUYZSMVR BVZ &EH

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 :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD277-689

 Synthetic Route

Phthalimide, N-(bromomethyl)- structure

Phthalimide, N-...

CAS#:5332-26-3

thiourea structure

thiourea

CAS#:17356-08-0

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Carbamimidothioic acid,(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, monohydrobromide (9CI) Structure

Carbamimidothio...

CAS#:64039-42-5

Literature: Griffin; Hey Journal of the Chemical Society, 1952 , p. 3334,3337

 Precursor & DownStream

Precursor  1

DownStream  0

 Synonyms

Caprylylglycine
N-n-octanoylglycine
Capryloyl glycine
N-caprylyl glycine
octanoylglycine
2-octanamidoacetic acid
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Chemsrc provides CAS#:64039-42-5 MSDS, density, melting point, boiling point, structure, etc. Its name is Carbamimidothioic acid,(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, monohydrobromide (9CI)>> amp version: Carbamimidothioic acid,(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl ester, monohydrobromide (9CI)

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