2-Chloro-4-ethylthiazole

CAT: 0127-OR910238-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR910238-01Size:100 mg

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CAS Number

98025-12-8

MDL Number

MFCD16817473

Purity

95%

Smiles

CCc1csc(Cl)n1

Chemical Information

2-Chloro-4-ethylthiazole

CAS Number	98025-12-8
PubChem CID	12097429
IUPAC Name	2-chloro-4-ethyl-1,3-thiazole
Molecular Formula	C5H6ClNS
Molecular Weight	147.63
XLogP	2.7
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=CSC(=N1)Cl

InChI

InChI=1S/C5H6ClNS/c1-2-4-3-8-5(6)7-4/h3H,2H2,1H3

InChIKey

JFTPVKJMVDWUCO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 98025-12-8

CID: 12097429

Formula: C5H6ClNS

MW: 147.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	147.63
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	146.9909481
Monoisotopic Mass	146.9909481
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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