Thiochroman-3-one

CAT: 0127-OR922713-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR922713-01Size:250 mg

Selected

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

Quick Request Actions

CAS Number

16895-58-2

MDL Number

MFCD08437618

Purity

97%

Smiles

O=C1CSc2ccccc2C1

Chemical Information

Thiochroman-3-one

CAS Number	16895-58-2
PubChem CID	10464661
IUPAC Name	4H-thiochromen-3-one
Molecular Formula	C9H8OS
Molecular Weight	164.23
XLogP	1.9
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	167

SMILES

C1C(=O)CSC2=CC=CC=C21

InChI

InChI=1S/C9H8OS/c10-8-5-7-3-1-2-4-9(7)11-6-8/h1-4H,5-6H2

InChIKey

KLYMTKVJYHTFIA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16895-58-2

CID: 10464661

Formula: C9H8OS

MW: 164.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	164.23
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	164.02958605
Monoisotopic Mass	164.02958605
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	167
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
OR1015235-01	Thiochroman-4-One
OR1048784-01	Thiochroman-4-one 1-oxide
OR1071593-01	(R) -Thiochroman-4-one 1-oxide
OR1032064-01	6- (4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl) thiochroman-4-one
OR29015-01	6-Chloro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide
BUP23709-01	6-Fluoro-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide
OR918271-01	Thian-3-one
OR8959	Thiepan-3-one
OR1047654-01	3,3-Dimethylisochroman-1-one
OR75122-01	3,3-Dimethylpiperazin-2-one

Catalog	Name
sc-237093	Thiochroman-4-one
T10525-01	Thiochroman-4-one 97%
TRC-M331035-1G	4-(Methyl)thiochroman-4-ol
017490	4- (Methyl) thiochroman-4-ol
sc-273502	1,1-Dioxo-1lambda6-thiochroman-4-one
sc-337191	6-Ethynyl-4,4-Dimethyl-Thiochroman
FI153431-01	Isothiazol-3-one
UAA09004-01	Chroman-3-one
263652-01	But-3-yn-one
286252-01	Oxetan-3-one