Product Code
F657669
CAS
89567-04-4
5-(Chloromethyl)-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraen-3-amine
Details
Chemical Properties
Hazards
Transport
Product Code
F657669
CAS
89567-04-4
CAS Number
89567-04-4
Iupac
5-(chloromethyl)-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6-tetraen-3-amine
Canonical Smiles
Nc1nc(CCl)nc2sc3c(c12)CCCC3
InChI
InChI=1S/C11H12ClN3S/c12-5-8-14-10(13)9-6-3-1-2-4-7(6)16-11(9)15-8/h1-5H2,(H2,13,14,15)
InChI Key
IHDMZQUFZFWOPP-UHFFFAOYSA-N
MDL Number
MFCD00512744
UNSPSC Code
12352100
SKU
F657669
Purity
95+%
Molecular Weight
253.75
Logp
3.73402111167
H Bond Acceptors
3
H Bond Donors
1
Fsp3
0.454545454545
SDS Documents
Un Number
3261
Packing Group
III
Hazard Class
8
Shipping Name
CORROSIVE SOLID, ACIDIC, ORGANIC, N.O.S.
