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4-(chloromethyl)-2-(methylsulfanyl)-1H-imidazole

4-(chloromethyl)-2-(methylsulfanyl)-1H-imidazole

CAS: 944905-27-5

Formula: C5H7ClN2S

SMILES: CSC1=NC(CCl)=CN1

IUPAC: 4-(chloromethyl)-2-(methylsulfanyl)-1H-imidazole

InChI: InChI=1S/C5H7ClN2S/c1-9-5-7-3-4(2-6)8-5/h3H,2H2,1H3,(H,7,8)

Composition: C (36.93%), H (4.34%), Cl (21.80%), N (17.23%), S (19.71%)

Molar Mass: 162.64

Atom Count: 16

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 162.0018471
Formal Charge 0
FSP3 0.4
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey ZJAVWXMOOWIYEU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.59
Topological Polar Surface Area 28.68
Polarizability 15.74
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 944905-27-5 $631.35-$4,597.70$631.35$1,147.70$4,597.70
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