(4E)-4-(5-amino-3H-1,3,4-thiadiazol-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one,hydrochloride

Modify Date: 2025-08-26 15:57:58

(4E)-4-(5-amino-3H-1,3,4-thiadiazol-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one,hydrochloride Structure
(4E)-4-(5-amino-3H-1,3,4-thiadiazol-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one,hydrochloride structure
Common Name (4E)-4-(5-amino-3H-1,3,4-thiadiazol-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one,hydrochloride
CAS Number 102107-59-5 Molecular Weight 259.71300
Density N/A Boiling Point 358ºC at 760 mmHg
Molecular Formula C9H10ClN3O2S Melting Point N/A
MSDS N/A Flash Point 170.3ºC

 Names

Name (4E)-4-(5-amino-3H-1,3,4-thiadiazol-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one,hydrochloride
Synonym More Synonyms

 Chemical & Physical Properties

Boiling Point 358ºC at 760 mmHg
Molecular Formula C9H10ClN3O2S
Molecular Weight 259.71300
Flash Point 170.3ºC
Exact Mass 259.01800
PSA 109.97000
LogP 0.88650
Vapour Pressure 2.63E-05mmHg at 25°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
SJ6925000
CHEMICAL NAME :
Phenol, 4-(2-amino-1,3,4-thiadiazol-5-yl)-2-methoxy-, hydrochloride, hydrate
CAS REGISTRY NUMBER :
102107-59-5
LAST UPDATED :
198609
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H9-N3-O2-S.Cl-H.H2-O
MOLECULAR WEIGHT :
277.75
WISWESSER LINE NOTATION :
T5NN DSJ CZ ER DQ CO1 &GH &QH

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 :
542 mg/kg
TOXIC EFFECTS :
Cardiac - other changes Lungs, Thorax, or Respiration - cyanosis Lungs, Thorax, or Respiration - other changes
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 13,187,1958

 Synthetic Route

~%

(4E)-4-(5-amino-3H-1,3,4-thiadiazol-2-ylidene)-2-methoxycyclohexa-2,5-dien-1-one,hydrochloride Structure

(4E)-4-(5-amino...

CAS#:102107-59-5

Literature: Maffii et al. Farmaco, Edizione Scientifica, 1958 , vol. 13, p. 187,196

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

4-(prop-2-en-1-yloxy)piperidine hydrochloride
4-(allyloxy)piperidine hydrochloride
4-(amino-[1,3,4]thiadiazol-2-yl)-2-methoxy-phenol,hydrochloride
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