Products for Research Use Only
RegisterLogin

Compound Fr13050

CAT: 0931-Fr13050-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-Fr13050-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
847956-27-8
Bioactivity
Compound Fr13050, with CAS No. 847956-27-8, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr13050 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
OC(=O)C1=CC=CC(=C1)C1=NC=CS1
Molecular Formula
C10H7NO2S
Molecular Weight
205.233
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(1,3-Thiazol-2-yl)benzoic acid
CAS Number847956-27-8
PubChem CID21075087
IUPAC Name3-(1,3-thiazol-2-yl)benzoic acid
Molecular FormulaC10H7NO2S
Molecular Weight205.23
XLogP2.1
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count14
Formal Charge0
Complexity222
SMILES
C1=CC(=CC(=C1)C(=O)O)C2=NC=CS2
InChI
InChI=1S/C10H7NO2S/c12-10(13)8-3-1-2-7(6-8)9-11-4-5-14-9/h1-6H,(H,12,13)
InChIKey
BLFSSABBFANDKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(1,3-Thiazol-2-yl)benzoic acid
CAS: 847956-27-8
CID: 21075087
Formula: C10H7NO2S
MW: 205.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.23
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass205.01974964
Monoisotopic Mass205.01974964
Topological Polar Surface Area78.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity222
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

Related Products

CatalogName
Fr13250-01Compound Fr13250
Fr13005-01Compound Fr13005
Fr13000-01Compound Fr13000
Fr13550-01Compound Fr13550
Fr13051-01Compound Fr13051
Fr13058-01Compound Fr13058
Fr13950-01Compound Fr13950
Fr13020-01Compound Fr13020
Fr13030-01Compound Fr13030
Fr13053-01Compound Fr13053

Alternative Products

CatalogName
ALX-550-516-M025Compound A
A8197-5.1Compound 56
C8444-50Compound C108
C5824-10GPR120 Compound A
B7337-5Compound 401
XXC35825-01Compound 3a
HY-U00358Compound 2
HY-14176-01Compound E
2573-5Compound 112254
1898-1000Compound 34

Popular Products