4-Bromo-2-ethylthiazole

CAT: 0926-VEA25827-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-VEA25827-01Size:100 mg

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CAS Number

120258-27-7

MDL Number

MFCD11223239

Smiles

CCC1=NC (=CS1) Br

Molecular Formula

C5H6BrNS

Molecular Weight

192.08 g/mol

Controlled

Chemical Information

4-Bromo-2-ethylthiazole

CAS Number	120258-27-7
PubChem CID	18761614
IUPAC Name	4-bromo-2-ethyl-1,3-thiazole
Molecular Formula	C5H6BrNS
Molecular Weight	192.08
XLogP	2.8
Topological Polar Surface Area	41.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	78

SMILES

CCC1=NC(=CS1)Br

InChI

InChI=1S/C5H6BrNS/c1-2-5-7-4(6)3-8-5/h3H,2H2,1H3

InChIKey

UGOTVBQVKYAZSV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 120258-27-7

CID: 18761614

Formula: C5H6BrNS

MW: 192.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	192.08
XLogP3	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	190.94043
Monoisotopic Mass	190.94043
Topological Polar Surface Area	41.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	78.8
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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