731826-75-8
([(4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO)ACETIC ACID
Name
([(4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO)ACETIC ACID
Formula
C13 H14 N2 O3 S2
MolWeight
310.397
1Identification
【Name】
([(4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO)ACETIC ACID
【CAS】
【MDL】
MFCD04632029
【English Synonyms】
【Formula】
C13 H14 N2 O3 S2
【MolWeight】
310.397
【Inchi】
InChI=1S/C13H14N2O3S2/c16-10(17)6-19-5-9-14-12(18)11-7-3-1-2-4-8(7)20-13(11)15-9/h1-6H2,(H,16,17)(H,14,15,18)
【InChIKey】
InChIKey=LEPVNFQTWXVSFW-UHFFFAOYSA-N
【SMILES】
C1CCc2c(c3c(=O)[nH]c(nc3s2)CSCC(=O)O)C1
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
([(4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)METHYL]THIO)ACETIC ACID.cml
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