Text Search
Structure Search

(²H?)methyl N-[5-(propylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate

(²H?)methyl N-[5-(propylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate

CAS: 1353867-92-1

Formula: C12H15N3O2S

SMILES: [2H]C([2H])([2H])OC(=O)NC1=NC2=CC(SCCC)=CC=C2N1

IUPAC: (²H?)methyl N-[5-(propylsulfanyl)-1H-1,3-benzodiazol-2-yl]carbamate

InChI: InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/i2D3

Composition: C (53.71%), H (4.51%), [2H] (2.25%), N (15.66%), O (11.92%), S (11.95%)

Molar Mass: 268.35

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 268.107328147
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey HXHWSAZORRCQMX-BMSJAHLVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 73.01
Topological Polar Surface Area 67.01
Polarizability 28.79
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 1353867-92-1 $364.65-$1,673.65$364.65$1,047.20$1,673.65
Request Quote
CLEARSYNTH LABS
Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1353867-92-1 $151.98-$1,166.88$151.98$549.78$1,166.88
Request Quote