Thietan-3-one

CAT: 0127-OR312059-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR312059-01Size:1 g

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

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CAS Number

22131-92-6

MDL Number

MFCD11848696

Purity

98%

Smiles

O=C1CSC1

Chemical Information

Thietan-3-one

CAS Number	22131-92-6
PubChem CID	12300315
IUPAC Name	thietan-3-one
Molecular Formula	C3H4OS
Molecular Weight	88.13
XLogP	0.5
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	5
Formal Charge	0
Complexity	53

SMILES

C1C(=O)CS1

InChI

InChI=1S/C3H4OS/c4-3-1-5-2-3/h1-2H2

InChIKey

DQOHDRDDPZNSQI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 22131-92-6

CID: 12300315

Formula: C3H4OS

MW: 88.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	88.13
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	87.99828592
Monoisotopic Mass	87.99828592
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	5
Formal Charge	0
Complexity	53.9
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
OR91065-01	Thietan-3-ol
OR312063	Thietan-3-ylmethanamine
OR1022500	Thietan-3-ylmethanol
OR1004477	Thietan-3-ylhydrazine dihydrochloride
OR312062	3- (Nitromethyl) thietan-3-ol
OR315565	Thietan-3-amine hydrobromide
OR312061	2- (Thietan-3-ylidene) acetonitrile
OR312109	2- (3- (Benzylamino) thietan-3-yl) ethanol
OR312060-01	Ethyl 2- (thietan-3-ylidene) acetate
OR312069	Benzyl 2- (thietan-3-ylidene) acetate

Catalog	Name
abx185588-01	Thietan-3-one
TRC-T344488-500MG	Thietan-3-ol
YKC60632-01	(thietan-3-yl) methanamine hydrochloride
AHC93532-01	2- (Thietan-3-yl) acetic acid
AM UF M003-01	Sodium N- (thietan-3-yl) sulfamate
ZEC65159-01	1- (Thietan-3-yl) hydrazine hydrochloride
YYB57330-01	Ethyl 2- (thietan-3-ylidene) acetate
sc-315034	4- (Thietan-3-yloxy) benzoic acid
FLD85631-01	1- (Thietan-3-yl) ethan-1-amine hydrochloride
ZGC27984-01	1- (Thietan-2-yl) methanamine hydrochloride