1,3-Propanesultam

CAT: 0024-sc-297941Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-297941Size:1 g

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CAS Number

5908-62-3

Chemical Information

1,3-Propanesultam

CAS Number	5908-62-3
PubChem CID	642157
IUPAC Name	1,2-thiazolidine 1,1-dioxide
Molecular Formula	C3H7NO2S
Molecular Weight	121.16
XLogP	-0.5
Topological Polar Surface Area	54.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	143

SMILES

C1CNS(=O)(=O)C1

InChI

InChI=1S/C3H7NO2S/c5-7(6)3-1-2-4-7/h4H,1-3H2

InChIKey

XGYCWCIGCYGQFU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5908-62-3

CID: 642157

Formula: C3H7NO2S

MW: 121.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	121.16
XLogP3	-0.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	121.01974964
Monoisotopic Mass	121.01974964
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	143
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

Catalog	Name
sc-224852	1,1,1,3,3,3-Hexabromoacetone
sc-255883	1,1,1,3,3,3-Hexafluoroisopropylamine
sc-485231	1,3-Bis (3,3,3-trifluoropropyl) -1,1,3,3-tetramethyldisilazane
sc-487632	1,1,3,3-Tetraphenyl-1,3-disiloxanediol
sc-255882	1,1,1,3,3,3-Hexafluoroisopropyl trifluoromethanesulphonate
sc-237650	1,1,3,3-Tetramethyl-1,3-diphenyldisilazane
sc-224901	1,3-Diethyl-1,1,3,3-tetramethyldisilazane
sc-222964	1,3-Diethoxy-1,1,3,3-tetramethyldisiloxane
sc-339180A	1,1,1,3,3-pentachloropropane
sc-208708A	1,1,3,3-Tetraethoxypropane-1,3-d2

Catalog	Name
HY-W001194-01	1,3-Propanesultam
456855-01	N- (2-Bromophenyl) -1,3-propanesultam
WCA70312-01	N- (3-Chlorophenyl) -1,3-propanesultam
457044-01	N- (3-Bromophenyl) -1,3-propanesultam
IDA63483-01	N-Methyl-1,3-propanesultam
457088-01	N- (3-Fluorophenyl) -1,3-propanesultam
457157-01	N- (4-Aminophenyl) -1,3-propanesultam
456909-01	N- (2-Fluorophenyl) -1,3-propanesultam
WCA70316	N- (4-Bromophenyl) -1,3-propanesultam
457198-01	N- (4-Chlorophenyl) -1,3-propanesultam