3546-29-0

3546-29-0 structure

3546-29-0 structure

Name: sodium,5-cyclohex-2-en-1-yl-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate
Chemical Name: sodium,5-cyclohex-2-en-1-yl-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate
CAS Number: 3546-29-0
Molecular Formula: C₁₃H₁₅N₂NaO₂S
Molecular Weight: 286.32500
Create Date: 2017-01-24 12:24:39
Modify Date: 2023-01-16 17:48:02

Name	sodium,5-cyclohex-2-en-1-yl-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate
Synonyms	Sodium allylcyclohexenylthiobarbiturate BARBITURIC ACID,5-ALLYL-5-(2-CYCLOHEXEN-1-YL)-2-THIO-,SODIUM SALT Thialbarbital sodium Intranarcon Intranarcone Thialbarbitone sodium Kemithal EINECS 222-595-8

Molecular Formula	C₁₃H₁₅N₂NaO₂S
Molecular Weight	286.32500
Exact Mass	286.07500
PSA	100.10000
LogP	1.86040

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CP8400300

CHEMICAL NAME :: Barbituric acid, 5-allyl-5-(2-cyclohexen-1-yl)-2-thio-, sodium salt

CAS REGISTRY NUMBER :: 3546-29-0

LAST UPDATED :: 199712

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H16-N2-O2-S.Na

MOLECULAR WEIGHT :: 287.36

WISWESSER LINE NOTATION :: T6VMYNV FHJ CUS F2U1 F- CL6UTJ &-NA- &34/6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 300 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity)

REFERENCE :: YKKZAJ Yakugaku Zasshi. Journal of Pharmacy. (Nippon Yakugakkai, 2-12-15 Shibuya, Shibuya-ku, Tokyo 150, Japan) No.1- 1881- Volume(issue)/page/year: 75,885,1955