PTC-209 HBr

CAT: 0024-sc-476727Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-476727Size:5 mg

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CAS Number

1217022-63-3

Chemical Information

PTC-209 hydrobromide

CAS Number	1217022-63-3
PubChem CID	76458124
IUPAC Name	N-(2,6-dibromo-4-methoxyphenyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine;hydrobromide
Molecular Formula	C17H14Br3N5OS
Molecular Weight	576.1
Topological Polar Surface Area	92.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	480

SMILES

CC1=C(N2C=CC=NC2=N1)C3=CSC(=N3)NC4=C(C=C(C=C4Br)OC)Br.Br

InChI

InChI=1S/C17H13Br2N5OS.BrH/c1-9-15(24-5-3-4-20-16(24)21-9)13-8-26-17(22-13)23-14-11(18)6-10(25-2)7-12(14)19;/h3-8H,1-2H3,(H,22,23);1H

InChIKey

UOPFJYYKFDZXSY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1217022-63-3

CID: 76458124

Formula: C17H14Br3N5OS

MW: 576.1

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	576.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	4
Exact Mass	574.84487
Monoisotopic Mass	572.84692
Topological Polar Surface Area	92.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	480
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	2
Compound Is Canonicalized	Yes

Catalog	Name
sc-204276	SG 209
sc-204276A	SG 209
sc-352538	4-Nitrophenylethylamine HBr
sc-353253	Dimethylaminoethyl bromide HBr
sc-352538A	4-Nitrophenylethylamine HBr
sc-200351	S-Ethylisothiourea HBr
sc-353253A	Dimethylaminoethyl bromide HBr
sc-353253C	Dimethylaminoethyl bromide HBr
sc-353253D	Dimethylaminoethyl bromide HBr
sc-353253B	Dimethylaminoethyl bromide HBr

Catalog	Name
B3179-5	PTC-209
MBS130358-01	PTC 209