3-Disulfanylpropanoic Acid

CAT: 1299-RG-D091903-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-D091903-01Size:10 mg

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CAS Number

221180-71-8

Synonyms

3-disulfanylpropanoic acid

Molecular Formula

C3H6O2S2

Molecular Weight

138.21

Product Name Synonym

3-disulfanylpropanoic acid

Chemical Information

3-Disulfanylpropanoic Acid

CAS Number	221180-71-8
PubChem CID	19881902
IUPAC Name	3-(disulfanyl)propanoic acid
Molecular Formula	C3H6O2S2
Molecular Weight	138.21
XLogP	0.5
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	64

SMILES

C(CSS)C(=O)O

InChI

InChI=1S/C3H6O2S2/c4-3(5)1-2-7-6/h6H,1-2H2,(H,4,5)

InChIKey

CXXDUKKBFUFJDF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 221180-71-8

CID: 19881902

Formula: C3H6O2S2

MW: 138.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	138.21
XLogP3	0.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	137.98092178
Monoisotopic Mass	137.98092178
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	64
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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