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

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

CAS: 1448345-60-5

Formula: C12H15N3O4S

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

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

InChI: InChI=1S/C12H15N3O4S/c1-3-6-20(17,18)8-4-5-9-10(7-8)14-11(13-9)15-12(16)19-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)/i2D3

Composition: C (47.99%), H (4.03%), [2H] (2.01%), N (13.99%), O (21.31%), S (10.67%)

Molar Mass: 300.35

Atom Count: 35

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 300.097157387
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey CLSJYOLYMZNKJB-BMSJAHLVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.12
Topological Polar Surface Area 101.15
Polarizability 29.93
Ring Count 2
Rotatable Bond Count 5

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1448345-60-5 $105.06-$831.30$105.06$390.66$831.30
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