2-MERCAPTO-3-PHENYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE

CAS No.
42076-13-1
CCD No.
CCD00128069
Formula
C16 H14 N2 O S2
MolWeight
314.432

Basic Information

Product Name: 2-MERCAPTO-3-PHENYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
CAS: 42076-13-1
English Synonyms: [1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE, 5,6,7,8-TETRAHYDRO-2-MERCAPTO-3-PHENYL- ; 2-MERCAPTO-3-PHENYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE ; 2-MERCAPTO-3-PHENYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE ; 2-MERCAPTO-3-PHENYL-5,6,7,8-TETRAHYDROBENZO[B]THIENO[2,3-D]PYRIMIDIN-4(3H)-ONE ; 3-PHENYL-2-SULFANYL-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
MDL Number.: MFCD00413462
H bond acceptor: 3
H bond donor: 0
Smile: c1ccc(cc1)n2c(=O)c3c4c(sc3nc2S)CCCC4
InChi: InChI=1S/C16H14N2OS2/c19-15-13-11-8-4-5-9-12(11)21-14(13)17-16(20)18(15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,20)
InChiKey: InChIKey=VVTUPMPBYOGHJF-UHFFFAOYSA-N

Property

Melting Point: >330 DEG C
Comments: TSCA: N
UNSPSC: 12000000

Safety information

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