tert-butyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate

tert-butyl N-[4-(chloromethyl)-1,3-thiazol-2-yl]carbamate

CAS: 892952-70-4

Formula: C9H13ClN2O2S

SMILES: CC(C)(C)OC(=O)NC1=NC(CCl)=CS1

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

InChI: InChI=1S/C9H13ClN2O2S/c1-9(2,3)14-8(13)12-7-11-6(4-10)5-15-7/h5H,4H2,1-3H3,(H,11,12,13)

Composition: C (43.46%), H (5.27%), Cl (14.25%), N (11.26%), O (12.86%), S (12.89%)

Molar Mass: 248.73

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.0386265
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NYMXQKNNEPFDPR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.38
Topological Polar Surface Area	51.22
Polarizability	23.01
Ring Count	1
Rotatable Bond Count	4

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