MHY553

CAT: 0013-GTR19210963-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19210963-01Size:1 mg

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Description

MHY553

CAS Number

6265-56-1

Field of Research

Metabolism Research, Molecular Biology

Smiles

OC1=C (C2=NC=3C (S2) =CC=CC3) C=CC (O) =C1

Molecular Formula

C13H9NO2S

Molecular Weight

243.28

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

4-(2-Benzothiazolyl)-1,3-benzenediol

CAS Number	6265-56-1
PubChem CID	95746
IUPAC Name	4-(1,3-benzothiazol-2-yl)benzene-1,3-diol
Molecular Formula	C13H9NO2S
Molecular Weight	243.28
XLogP	3.5
Topological Polar Surface Area	81.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	17
Formal Charge	0
Complexity	276

SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)O)O

InChI

InChI=1S/C13H9NO2S/c15-8-5-6-9(11(16)7-8)13-14-10-3-1-2-4-12(10)17-13/h1-7,15-16H

InChIKey

YQIRLDMXXRINIJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6265-56-1

CID: 95746

Formula: C13H9NO2S

MW: 243.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	243.28
XLogP3	3.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	243.03539970
Monoisotopic Mass	243.03539970
Topological Polar Surface Area	81.6 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	276
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

Catalog	Name
T68974-01	MHY553