6965-81-7
2-(2-HYDROXYETHYLTHIOMETHYL)-4-METHYLQUINAZOLINE 3-OXIDE
Name2-(2-HYDROXYETHYLTHIOMETHYL)-4-METHYLQUINAZOLINE 3-OXIDE
1Identification
【Name】
2-(2-HYDROXYETHYLTHIOMETHYL)-4-METHYLQUINAZOLINE 3-OXIDE
【CAS】
【MDL】
MFCD00054592
【English Synonyms】
【Formula】
C12 H14 N2 O2 S
【MolWeight】
250.321
【Inchi】
InChI=1S/C12H14N2O2S/c1-9-10-4-2-3-5-11(10)13-12(14(9)16)8-17-7-6-15/h2-5,15H,6-8H2,1H3
【InChIKey】
InChIKey=CKKKMBQXGUQQAC-UHFFFAOYSA-N
【SMILES】
Cc1c2ccccc2nc([n+]1[O-])CSCCO
【MOL File】
2-(2-HYDROXYETHYLTHI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-HYDROXYETHYLTHIOMETHYL)-4-METHYLQUINAZOLINE 3-OXIDE.cml