Tiopronin

CAT: 0024-sc-237114Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-237114Size:1 g

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CAS Number

1953-02-2

Chemical Information

Tiopronin

Tiopronin is a N-acyl-amino acid.

CAS Number	1953-02-2
PubChem CID	5483
IUPAC Name	2-(2-sulfanylpropanoylamino)acetic acid
Molecular Formula	C5H9NO3S
Molecular Weight	163.20
XLogP	-0.1
Topological Polar Surface Area	67.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	10
Formal Charge	0
Complexity	148

SMILES

CC(C(=O)NCC(=O)O)S

InChI

InChI=1S/C5H9NO3S/c1-3(10)5(9)6-2-4(7)8/h3,10H,2H2,1H3,(H,6,9)(H,7,8)

InChIKey

YTGJWQPHMWSCST-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1953-02-2

CID: 5483

Formula: C5H9NO3S

MW: 163.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	163.20
XLogP3	-0.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	163.03031432
Monoisotopic Mass	163.03031432
Topological Polar Surface Area	67.4 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	148
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	1
Compound Is Canonicalized	Yes