tert-butyl N-[4-(hydroxymethyl)-1,3-benzothiazol-2-yl]carbamate

tert-butyl N-[4-(hydroxymethyl)-1,3-benzothiazol-2-yl]carbamate

CAS: 1265894-77-6

Formula: C13H16N2O3S

SMILES: CC(C)(C)OC(=O)NC1=NC2=C(CO)C=CC=C2S1

IUPAC: tert-butyl N-[4-(hydroxymethyl)-1,3-benzothiazol-2-yl]carbamate

InChI: InChI=1S/C13H16N2O3S/c1-13(2,3)18-12(17)15-11-14-10-8(7-16)5-4-6-9(10)19-11/h4-6,16H,7H2,1-3H3,(H,14,15,17)

Composition: C (55.70%), H (5.75%), N (9.99%), O (17.12%), S (11.44%)

Molar Mass: 280.34

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	280.088163557
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	HKOXPOISGQPLPX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.71
Topological Polar Surface Area	71.45
Polarizability	29.2
Ring Count	2
Rotatable Bond Count	4

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