85156-33-8
1-BENZOYL-3-(5-METHYLISOXAZOLE)THIOUREA
Name
1-BENZOYL-3-(5-METHYLISOXAZOLE)THIOUREA
Formula
C12 H11 N3 O2 S
MolWeight
261.304
1Identification
【Name】
1-BENZOYL-3-(5-METHYLISOXAZOLE)THIOUREA
【CAS】
【MDL】
MFCD00126665
【English Synonyms】
【Formula】
C12 H11 N3 O2 S
【MolWeight】
261.304
【Inchi】
InChI=1S/C12H11N3O2S/c1-8-7-10(15-17-8)13-12(18)14-11(16)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,14,15,16,18)
【InChIKey】
InChIKey=APDBKLFXMMKMMJ-UHFFFAOYSA-N
【SMILES】
Cc1cc(no1)NC(=S)NC(=O)c2ccccc2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-BENZOYL-3-(5-METHYLISOXAZOLE)THIOUREA.cml
Quick Release
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