3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-fluoroethyl)-1-nitrosourea

Modify Date: 2024-09-23 18:10:57

3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-fluoroethyl)-1-nitrosourea Structure
3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-fluoroethyl)-1-nitrosourea structure
 Common Name 3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-fluoroethyl)-1-nitrosourea
CAS Number 33024-46-3 Molecular Weight 283.32200
Density 1.4g/cm3 Boiling Point N/A
Molecular Formula C12H14FN3O2S Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-fluoroethyl)-1-nitrosourea

 Chemical & Physical Properties

Density 1.4g/cm3
Molecular Formula C12H14FN3O2S
Molecular Weight 283.32200
Exact Mass 283.07900
PSA 87.07000
LogP 3.27690
Index of Refraction 1.637
InChIKey VPLAJPCKEDNTIT-UHFFFAOYSA-N
SMILES O=NN(CCF)C(=O)NC1CCSc2ccccc21

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YT3960000
CHEMICAL NAME :
Urea, 1-(2-fluoroethyl)-1-nitroso-3-(thiochroman-4-yl)-
CAS REGISTRY NUMBER :
33024-46-3
BEILSTEIN REFERENCE NO. :
1397049
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H14-F-N3-O2-S
MOLECULAR WEIGHT :
283.35
WISWESSER LINE NOTATION :
T66 BS EHJ EMVNNO&&2F

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 :
36180 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986
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Chemsrc provides CAS#:33024-46-3 MSDS, density, melting point, boiling point, structure, etc. Its name is 3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-fluoroethyl)-1-nitrosourea>> amp version: 3-(3,4-dihydro-2H-thiochromen-4-yl)-1-(2-fluoroethyl)-1-nitrosourea

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