SIB-1553A hydrochloride

CAT: 0127-BUP09188-01Size: 5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-BUP09188-01Size:5 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

191611-89-9

Purity

=98%

Smiles

Cl.CN1CCCC1CCSc1ccc(O)cc1

Chemical Information

Sib 1553A

CAS Number	191611-89-9
PubChem CID	9881989
IUPAC Name	4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol;hydrochloride
Molecular Formula	C13H20ClNOS
Molecular Weight	273.82
Topological Polar Surface Area	48.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	17
Formal Charge	0
Complexity	204

SMILES

CN1CCCC1CCSC2=CC=C(C=C2)O.Cl

InChI

InChI=1S/C13H19NOS.ClH/c1-14-9-2-3-11(14)8-10-16-13-6-4-12(15)5-7-13;/h4-7,11,15H,2-3,8-10H2,1H3;1H

InChIKey

RJSVKPQKXSMZMT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 191611-89-9

CID: 9881989

Formula: C13H20ClNOS

MW: 273.82

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.82
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	273.0954131
Monoisotopic Mass	273.0954131
Topological Polar Surface Area	48.8 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	204
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
BUP05025-01	SIB 1553A
BUP12972-01	SIB-1757
BUP06309-01	(E/Z) -SIB-1893
OR1043462-01	Hydrochloride
BUP10427-01	Landiolol hydrochloride
BUP18561	Tetracaine hydrochloride
BUP23581-01	β-Aminopropionitrile hydrochloride
BIO0140-01	Oxytetracycline hydrochloride
PC109149-01	Lomefloxacin Hydrochloride
PC109001	Prasugrel Hydrochloride