32550-63-3
1-(HYDROXYMETHYL)-4-PHENYL-1,4-DIHYDRO-5H-TETRAZOLE-5-THIONE
Name1-(HYDROXYMETHYL)-4-PHENYL-1,4-DIHYDRO-5H-TETRAZOLE-5-THIONE
1Identification
【Name】
1-(HYDROXYMETHYL)-4-PHENYL-1,4-DIHYDRO-5H-TETRAZOLE-5-THIONE
【CAS】
【MDL】
MFCD00087656
【English Synonyms】
【Formula】
C8 H8 N4 O S
【MolWeight】
208.244
【Inchi】
InChI=1S/C8H8N4OS/c13-6-11-8(14)12(10-9-11)7-4-2-1-3-5-7/h1-5,13H,6H2
【InChIKey】
InChIKey=BTUJSUDWUWIQPV-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c(=S)n(nn2)CO
【MOL File】
1-(HYDROXYMETHYL)-4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(HYDROXYMETHYL)-4-PHENYL-1,4-DIHYDRO-5H-TETRAZOLE-5-THIONE.cml