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N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

CAS: 40534-18-7

Formula: C8H12N2S

SMILES: CNC1=NC2=C(CCCC2)S1

IUPAC: N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine

InChI: InChI=1S/C8H12N2S/c1-9-8-10-6-4-2-3-5-7(6)11-8/h2-5H2,1H3,(H,9,10)

Composition: C (57.11%), H (7.19%), N (16.65%), S (19.05%)

Molar Mass: 168.26

Atom Count: 23

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 168.072119568
Formal Charge 0
FSP3 0.62
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KKHSFIGAKBKWFB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.93
Topological Polar Surface Area 24.92
Polarizability 17.56
Ring Count 2
Rotatable Bond Count 1

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Purity (%)
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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 40534-18-7 $51.35-$225.06$51.35$63.37$86.31$143.12$225.06
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