3-ethyl-5,6-dimethyl-2-{[(1E)-3,5,5-trimethylcyclohex-2-en-1-ylidene]methyl}-1,3-benzothiazol-3-ium

3-ethyl-5,6-dimethyl-2-{[(1E)-3,5,5-trimethylcyclohex-2-en-1-ylidene]methyl}-1,3-benzothiazol-3-ium

Formula: C21H28NS

SMILES: CC[N+]1=C(SC2=CC(C)=C(C)C=C12)C=C1/CC(C)(C)CC(C)=C1

IUPAC: 3-ethyl-5,6-dimethyl-2-{[(1E)-3,5,5-trimethylcyclohex-2-en-1-ylidene]methyl}-1,3-benzothiazol-3-ium

InChI: InChI=1S/C21H28NS/c1-7-22-18-9-15(3)16(4)10-19(18)23-20(22)11-17-8-14(2)12-21(5,6)13-17/h8-11H,7,12-13H2,1-6H3/q+1/b17-11-

Composition: C (77.25%), H (8.64%), N (4.29%), S (9.82%)

Molar Mass: 326.52

Atom Count: 51

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	326.1936975
Formal Charge	1
FSP3	0.48
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	0
InChIKey	DLTIBRALUOQSIA-BOPFTXTBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.39
Topological Polar Surface Area	3.88
Polarizability	40.3
Ring Count	3
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H28NS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00