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3-ethyl-2-methyl-3a,7a-dihydro-1,3-benzothiazol-3-ium

3-ethyl-2-methyl-3a,7a-dihydro-1,3-benzothiazol-3-ium

Formula: C10H14NS

SMILES: CC[N+]1=C(C)SC2C=CC=CC12

IUPAC: 3-ethyl-2-methyl-3a,7a-dihydro-1,3-benzothiazol-3-ium

InChI: InChI=1/C10H14NS/c1-3-11-8(2)12-10-7-5-4-6-9(10)11/h4-7,9-10H,3H2,1-2H3/q+1

Composition: C (66.62%), H (7.83%), N (7.77%), S (17.78%)

Molar Mass: 180.29

Atom Count: 26

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 180.084147049
Formal Charge 1
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey MPBBVXQANLXLCB-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.74
Topological Polar Surface Area 3.01
Polarizability 21.34
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C10H14NS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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