3-allyl-2-mercapto-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Base Information

• Chemical Name: 3-allyl-2-mercapto-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
• CAS No.: 307512-22-7
• Molecular Formula: C14H16 N2 O S2
• Molecular Weight: 292.42
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40384634
• Mol file: 307512-22-7.mol

Synonyms:307512-22-7;3-allyl-2-mercapto-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;3-Allyl-2-mercapto-7-methyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one;3-allyl-2-mercapto-7-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one;7-methyl-3-prop-2-enyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one;3-allyl-7-methyl-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one;CBMicro_002215;Oprea1_834977;[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one,2,3,5,6,7,8-hexahydro-7-methyl-3-(2-propen-1-yl)-2-thioxo-;DTXSID40384634;BQGPJUIDDGGYJB-UHFFFAOYSA-N;SMSF0016014;CCG-17250;MFCD01552441;AKOS000805672;AKOS002169025;AKOS016043125;AKOS016295135;CB03730;BIM-0001984.P001;CS-0219237;EU-0039382;EN300-03493;AF-399/13909054;Z55664997;F0745-0308;F9995-0070;3-Allyl-7-methyl-2-mercapto-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one;11-methyl-4-(prop-2-en-1-yl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one;11-methyl-4-(prop-2-en-1-yl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0]trideca-1(9),2(7),5-trien-3-one;3-allyl-7-methyl-2-thioxo-2,3,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(1H)-one;7-Methyl-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

Chemical Property of 3-allyl-2-mercapto-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

Chemical Property:

• Vapor Pressure: 6.51E-09mmHg at 25°C
• Boiling Point: 467.4°Cat760mmHg
• Flash Point: 236.5°C
• PSA: 101.93000
• Density: 1.34g/cm³
• LogP: 3.05750
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 292.07040549
• Heavy Atom Count: 19
• Complexity: 426

Purity/Quality:

99%min ^*data from raw suppliers

3-Allyl-2-mercapto-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)CC=C