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2-[(chloromethyl)sulfanyl]-1,3-benzothiazole

2-[(chloromethyl)sulfanyl]-1,3-benzothiazole

Formula: C8H6ClNS2

SMILES: ClCSC1=NC2=CC=CC=C2S1

IUPAC: 2-[(chloromethyl)sulfanyl]-1,3-benzothiazole

InChI: InChI=1S/C8H6ClNS2/c9-5-11-8-10-6-3-1-2-4-7(6)12-8/h1-4H,5H2

Composition: C (44.54%), H (2.80%), Cl (16.43%), N (6.49%), S (29.72%)

Molar Mass: 215.71

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 214.9630192
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey HBFOPLIDEZBACO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.85
Topological Polar Surface Area 12.89
Polarizability 22.36
Ring Count 2
Rotatable Bond Count 2

Suppliers

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Life Chemicals USA, Inc.
Supplier Profile
Purity LeadTime Formula PacketSize UnitPrice
95% <7 Days C8H6ClNS2 $332.64-$4,519.35$332.64$597.96$1,076.13$2,152.26$3,228.39$4,519.35
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Purity LeadTime Formula UnitPrice
98% <10 Days C8H6ClNS2 Quote Only
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