PGL-135

CAT: 0013-GTR19210458-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19210458-02Size:50 mg

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Description

PGL-135

CAS Number

26278-83-1

Smiles

CC1=C2C (=C (C) C=C1O) N=C (N) S2

Molecular Formula

C9H10N2OS

Molecular Weight

194.25

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Pgl-135

structure in first source

CAS Number	26278-83-1
PubChem CID	9855723
IUPAC Name	2-amino-4,7-dimethyl-1,3-benzothiazol-6-ol
Molecular Formula	C9H10N2OS
Molecular Weight	194.26
XLogP	2.4
Topological Polar Surface Area	87.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	202

SMILES

CC1=CC(=C(C2=C1N=C(S2)N)C)O

InChI

InChI=1S/C9H10N2OS/c1-4-3-6(12)5(2)8-7(4)11-9(10)13-8/h3,12H,1-2H3,(H2,10,11)

InChIKey

RUTNKAMSWIPHJW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26278-83-1

CID: 9855723

Formula: C9H10N2OS

MW: 194.26

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	194.26
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	194.05138412
Monoisotopic Mass	194.05138412
Topological Polar Surface Area	87.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	202
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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PGL-135

Chemical Information

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