54567-60-1
5-(HYDROXYMETHYL)-1,3,4-THIADIAZOLE-2(3H)-THIONE
Name5-(HYDROXYMETHYL)-1,3,4-THIADIAZOLE-2(3H)-THIONE
1Identification
【Name】
5-(HYDROXYMETHYL)-1,3,4-THIADIAZOLE-2(3H)-THIONE
【CAS】
【MDL】
MFCD22207689
【English Synonyms】
【Formula】
C3 H4 N2 O S2
【MolWeight】
148.21
【Inchi】
InChI=1S/C3H4N2OS2/c6-1-2-4-5-3(7)8-2/h6H,1H2,(H,5,7)
【InChIKey】
InChIKey=MLXPGVGNTLPQIY-UHFFFAOYSA-N
【SMILES】
C(c1n[nH]c(=S)s1)O
【MOL File】
5-(HYDROXYMETHYL)-1,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(HYDROXYMETHYL)-1,3,4-THIADIAZOLE-2(3H)-THIONE.cml