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Compound Fr14072

CAT: 0931-Fr14072-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-Fr14072-01Size:1 g
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CAS Number
3034-52-4
Bioactivity
Compound Fr14072, with CAS No. 3034-52-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14072 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
ClC1=NC=CS1
Molecular Formula
C3H2ClNS
Molecular Weight
119.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Chlorothiazole

2-chlorothiazole is an organochlorine compound and a member of 1,3-thiazoles.

CAS Number3034-52-4
PubChem CID76429
IUPAC Name2-chloro-1,3-thiazole
Molecular FormulaC3H2ClNS
Molecular Weight119.57
XLogP1.7
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count6
Formal Charge0
Complexity50
SMILES
C1=CSC(=N1)Cl
InChI
InChI=1S/C3H2ClNS/c4-3-5-1-2-6-3/h1-2H
InChIKey
KLEYVGWAORGTIT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chlorothiazole
CAS: 3034-52-4
CID: 76429
Formula: C3H2ClNS
MW: 119.57
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight119.57
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass118.9596479
Monoisotopic Mass118.9596479
Topological Polar Surface Area41.1 Ų
Heavy Atom Count6
Formal Charge0
Complexity50.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes