1-Isothiazol-5-ylmethylenethiosemicarbazide

Modify Date: 2024-09-23 22:23:06

1-Isothiazol-5-ylmethylenethiosemicarbazide Structure
1-Isothiazol-5-ylmethylenethiosemicarbazide structure
Common Name 1-Isothiazol-5-ylmethylenethiosemicarbazide
CAS Number 3683-56-5 Molecular Weight 186.25800
Density 1.57g/cm3 Boiling Point 260.1ºC at 760 mmHg
Molecular Formula C5H6N4S2 Melting Point N/A
MSDS N/A Flash Point 111.1ºC

 Names

Name [(E)-1,2-thiazol-5-ylmethylideneamino]thiourea
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.57g/cm3
Boiling Point 260.1ºC at 760 mmHg
Molecular Formula C5H6N4S2
Molecular Weight 186.25800
Flash Point 111.1ºC
Exact Mass 186.00300
PSA 123.63000
LogP 1.40140
Index of Refraction 1.769
InChIKey IGMDTQLCQVZJBC-XVNBXDOJSA-N
SMILES NC(=S)NN=Cc1ccns1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8155600
CHEMICAL NAME :
Isothiazole-5-carboxaldehyde, thiosemicarbazone
CAS REGISTRY NUMBER :
3683-56-5
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H6-N4-S2
MOLECULAR WEIGHT :
186.27
WISWESSER LINE NOTATION :
T5NSJ C1UNMYZUS

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 8,680,1965

 Safety Information

HS Code 2934999090

 Customs

HS Code 2934999090
Summary 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

Thiosemicarbazide,1-isothiazol-5-ylmethylene
isothiazole-5-carbaldehyde thiosemicarbazone
ISOTHIAZOLE-5-CARBOXALDEHYDE,THIOSEMICARBAZONE
1-Isothiazol-5-ylmethylenethiosemicarbazide
5-Formyl-isothiazol-thiosemicarbazon
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