2-Methylthieno[3,2-d]pyrimidin-4(3H)-one supplier

Name
2-methylthieno[3,2-d]pyrimidin-4(3H)-one
EINECS
CAS No. 18678-13-2
Article Data12
CAS DataBase
Density 1.456 g/cm³
Solubility
Melting Point
Formula C₇H₆N₂OS
Boiling Point
Molecular Weight 166.20
Flash Point
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Thieno[3,2-d]pyrimidin-4(1H)-one,2-methyl- (9CI);Thieno[3,2-d]pyrimidin-4-ol, 2-methyl- (8CI);2-Methylthieno[3,2-d]pyrimidin-4-ol;
PSA 73.99000
LogP 1.29300

2-Methylthieno[3,2-d]pyrimidin-4(3H)-one Specification

The Thieno[3,2-d]pyrimidin-4(3H)-one,2-methyl-, with the CAS registry number 18678-13-2, is also known as 2-Methylthieno[3,2-d]pyrimidin-4(3H)-one. This chemical's molecular formula is C₇H₆N₂OS and molecular weight is 166.02. What's more, its systematic name is called 2-Methylthieno[3,2-d]pyrimidin-4(1H)-one.

Physical properties about Thieno[3,2-d]pyrimidin-4(3H)-one,2-methyl- are: (1)ACD/LogP: 1.444; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 0.83; (5)ACD/BCF (pH 5.5): 2.79; (6)ACD/BCF (pH 7.4): 1.78; (7)ACD/KOC (pH 5.5): 54.97; (8)ACD/KOC (pH 7.4): 35.10; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 74.25 Å²; (13)Index of Refraction: 1.726; (14)Molar Refractivity: 45.369 cm³; (15)Molar Volume: 114.181 cm³; (16)Polarizability: 17.986×10^-24cm³; (17)Surface Tension: 74.291 dyne/cm; (18)Density: 1.456 g/cm³.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1nc(C)nc2ccsc12
(2) InChI: InChI=1S/C7H6N2OS/c1-4-8-5-2-3-11-6(5)7(10)9-4/h2-3H,1H3,(H,8,9,10)
(3) InChIKey: IAAFTUOIPKKJAA-UHFFFAOYSA-N

Product Name

2-methylthieno[3,2-d]pyrimidin-4(3H)-one

2-Methylthieno[3,2-d]pyrimidin-4(3H)-one Specification

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