2-(4-methyl-1,3-thiazol-5-yl)ethyl hexanoate

2-(4-methyl-1,3-thiazol-5-yl)ethyl hexanoate

CAS: 94159-32-7

Formula: C12H19NO2S

SMILES: CCCCCC(=O)OCCC1=C(C)N=CS1

IUPAC: 2-(4-methyl-1,3-thiazol-5-yl)ethyl hexanoate

InChI: InChI=1S/C12H19NO2S/c1-3-4-5-6-12(14)15-8-7-11-10(2)13-9-16-11/h9H,3-8H2,1-2H3

Composition: C (59.72%), H (7.94%), N (5.80%), O (13.26%), S (13.28%)

Molar Mass: 241.35

Atom Count: 35

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	241.11365003
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VJULDCZELAIZHC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.9
Topological Polar Surface Area	39.19
Polarizability	25.37
Ring Count	1
Rotatable Bond Count	8

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