5-ALLYL-2-MERCAPTO-6-METHYL-PYRIMIDIN-4-OL

Modify Date: 2025-10-03 10:01:59

5-ALLYL-2-MERCAPTO-6-METHYL-PYRIMIDIN-4-OL Structure
5-ALLYL-2-MERCAPTO-6-METHYL-PYRIMIDIN-4-OL structure
Common Name 5-ALLYL-2-MERCAPTO-6-METHYL-PYRIMIDIN-4-OL
CAS Number 102613-14-9 Molecular Weight 182.24300
Density N/A Boiling Point N/A
Molecular Formula C8H10N2OS Melting Point N/A
MSDS N/A Flash Point N/A

 Names

Name 6-methyl-5-prop-2-enyl-2-sulfanylidene-1H-pyrimidin-4-one
Synonym More Synonyms

 Chemical & Physical Properties

Molecular Formula C8H10N2OS
Molecular Weight 182.24300
Exact Mass 182.05100
PSA 84.81000
LogP 1.50780
InChIKey IBWZVOPQOIWLAD-UHFFFAOYSA-N
SMILES C=CCc1c(C)[nH]c(=S)[nH]c1=O

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YQ8715700
CHEMICAL NAME :
Uracil, 5-allyl-6-methyl-2-thio-
CAS REGISTRY NUMBER :
102613-14-9
BEILSTEIN REFERENCE NO. :
0129965
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H10-N2-O-S
MOLECULAR WEIGHT :
182.26
WISWESSER LINE NOTATION :
T6MYMVJ BUS E2U1 F1

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 :
250 mg/kg
TOXIC EFFECTS :
Behavioral - antipsychotic
REFERENCE :
CPBTAL Chemical and Pharmaceutical Bulletin. (Japan Pub. Trading Co., USA, 1255 Howard St., San Francisco, CA 94103) V.6- 1958- Volume(issue)/page/year: 6,490,1958

 Synthetic Route

~%

5-ALLYL-2-MERCAPTO-6-METHYL-PYRIMIDIN-4-OL Structure

5-ALLYL-2-MERCA...

CAS#:102613-14-9

Literature: Journal of the American Chemical Society, , vol. 36, p. 372

 Precursor & DownStream

Precursor  0

DownStream  2

 Synonyms

4(1H)-Pyrimidinone,2,3-dihydro-6-methyl-5-(2-propen-1-yl)-2-thioxo
5-Allyl-6-methyl-2-thiouracil
Uracil,5-allyl-6-methyl-2-thio
6-methyl-5-(prop-2-en-1-yl)-2-sulfanylpyrimidin-4-ol
5-allyl-6-methyl-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
5-allyl-2-mercapto-6-methylpyrimidin-4(3H)-one
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