3-Methanesulfinylpropanoic acid

CAT: 0926-PAA09085-01Size: 0.1 gDry Ice: NoHazardous: No

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CAT#:0926-PAA09085-01Size:0.1 g

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CAS Number

14090-85-8

MDL Number

MFCD12815282

Smiles

CS (=O) CCC (=O) O

Molecular Formula

C4H8O3S

Molecular Weight

136.17 g/mol

Controlled

Chemical Information

3-Methanesulfinylpropanoic acid

CAS Number	14090-85-8
PubChem CID	13155031
IUPAC Name	3-methylsulfinylpropanoic acid
Molecular Formula	C4H8O3S
Molecular Weight	136.17
XLogP	-1.2
Topological Polar Surface Area	73.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	8
Formal Charge	0
Complexity	110

SMILES

CS(=O)CCC(=O)O

InChI

InChI=1S/C4H8O3S/c1-8(7)3-2-4(5)6/h2-3H2,1H3,(H,5,6)

InChIKey

OLSJFOQLAOTISH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14090-85-8

CID: 13155031

Formula: C4H8O3S

MW: 136.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.17
XLogP3	-1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	136.01941529
Monoisotopic Mass	136.01941529
Topological Polar Surface Area	73.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	110
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

Catalog	Name
SAA58561-01	(2R) -2-Amino-3-methanesulfonylpropanoic acid
FAA96183-01	3,3-oxydipropanoic acid
CAA36661-01	3,3-Difluorobutanoic acid
DAA17774-01	3,3-Dimethylpentanoic acid
KAC89705	3,3-difluorocyclopentanecarboxylic acid
FD33699-01	3,3-Dimethylglutaric acid
ZIB66920-01	3,3-Difluorocyclohexanecarboxylic Acid
ZFA68086-01	3,3-Dicyclopropylpropanoic acid
QDA80883-01	3,3-Dimethylhexanoic acid
RLC35226-01	3,3-Dicyclobutylpropanoic acid

Catalog	Name
B485868	3-Methanesulfinylpropanoic Acid (>85%)
34825450-01	3,3',5-Triiodothyroacetic acid, free acid
HY-W016614	3,3'-Thiodipropanoic acid
TRC-D445368-10MG	3,3-Difluorocyclopentanecarboxylic Acid
TRC-D491725-25G	3,3-Diphenylpropionic Acid
S6283-25mg	3,3-Dimethylglutaric acid
sc-209691	3,3'-Dithiobisbenzoic Acid
sc-347292	3,3-dicyclopropylpropanoic acid
TRC-D263058-250MG	3,3'-Diselenobispropionic Acid
OR1049098-01	3,3-Dibromoacrylic acid