53286-05-8
4,6-DIAMINO-2-METHYLTHIOPYRIMIDINE-5-SULFONIC ACID
Name4,6-DIAMINO-2-METHYLTHIOPYRIMIDINE-5-SULFONIC ACID
1Identification
【Name】
4,6-DIAMINO-2-METHYLTHIOPYRIMIDINE-5-SULFONIC ACID
【CAS】
【MDL】
MFCD00023238
【English Synonyms】
【Formula】
C5 H8 N4 O3 S2
【MolWeight】
236.275
【Inchi】
InChI=1S/C5H8N4O3S2/c1-13-5-8-3(6)2(4(7)9-5)14(10,11)12/h1H3,(H,10,11,12)(H4,6,7,8,9)
【InChIKey】
InChIKey=NLIPMTYIUKWPGW-UHFFFAOYSA-N
【SMILES】
CSc1nc(c(c(n1)N)S(=O)(=O)O)N
【MOL File】
4,6-DIAMINO-2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:7
XLogP3:-3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,6-DIAMINO-2-METHYLTHIOPYRIMIDINE-5-SULFONIC ACID.cml