1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylic acid

1-(1,3-benzothiazol-2-ylmethyl)cyclohexane-1-carboxylic acid

Formula: C15H17NO2S

SMILES: OC(=O)C1(CC2=NC3=CC=CC=C3S2)CCCCC1

IUPAC: 1-[(1,3-benzothiazol-2-yl)methyl]cyclohexane-1-carboxylic acid

InChI: InChI=1S/C15H17NO2S/c17-14(18)15(8-4-1-5-9-15)10-13-16-11-6-2-3-7-12(11)19-13/h2-3,6-7H,1,4-5,8-10H2,(H,17,18)

Composition: C (65.43%), H (6.22%), N (5.09%), O (11.62%), S (11.64%)

Molar Mass: 275.37

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	275.097999965
Formal Charge	0
FSP3	0.47
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VZNVKRYUHBRZPB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.54
Topological Polar Surface Area	50.19
Polarizability	30.13
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C15H17NO2S		Quote Only