2-[ (4-Chlorophenyl) thio]-2-methylpropanal

CAT: 0127-OR1002789-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1002789-01Size:100 mg

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CAS Number

56421-90-0

MDL Number

MFCD00243426

Purity

95%

Smiles

CC(C)(Sc1ccc(Cl)cc1)C=O

Chemical Information

2-[(4-Chlorophenyl)Sulfanyl]-2-Methylpropanal

CAS Number	56421-90-0
PubChem CID	2769063
IUPAC Name	2-(4-chlorophenyl)sulfanyl-2-methylpropanal
Molecular Formula	C10H11ClOS
Molecular Weight	214.71
XLogP	3.2
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	174

SMILES

CC(C)(C=O)SC1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H11ClOS/c1-10(2,7-12)13-9-5-3-8(11)4-6-9/h3-7H,1-2H3

InChIKey

ATFFNOSBGHNMPY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 56421-90-0

CID: 2769063

Formula: C10H11ClOS

MW: 214.71

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	214.71
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	214.0219138
Monoisotopic Mass	214.0219138
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	174
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
OR21711	2-[ (4-chlorophenyl) thio]nicotinamide
OR25197-01	2-[ (4-Chlorophenyl) thio]benzaldehyde
OR15484-01	2-[ (4-Chlorophenyl) thio]ethanol
OR25441	2-[ (4-chlorophenyl) thio]thiophene
OR13179	2-[ (4-Chlorophenyl) thio]acetohydrazide
OR91484	2- ((4-Chlorophenyl) thio) aniline
OR21637-01	2-[ (4-Chlorophenyl) thio]-5-nitrobenzonitrile
OR72598	2-[ (4-Chlorophenyl) thio]succinic acid
OR25093	Ethyl 2-[ (4-chlorophenyl) thio]acetate
OR21271-01	2-[ (4-Chlorophenyl) thio]-3-nitropyridine

Catalog	Name
sc-274086	2-[ (4-Chlorophenyl) thio]-2-methylpropanal
sc-274088	2-[ (4-chlorophenyl) thio]ethanamine
FC117101-01	2-[ (4-Chlorophenyl) thio]aniline
FC127914	[ (4-Chlorophenyl) thio]acetonitrile
FC20353	A- (4-Chlorophenyl) thio urea
sc-263161A	Ethyl 2-[ (4-chlorophenyl) thio]acetate
HBA45416-01	2- (4-Bromophenyl) -2-methylpropanal
sc-305434A	2- (4-Benzylpiperazino) -2-methylpropanal
414518-01	2-[ (4-Chlorophenyl) thio]ethanamine Hydrochloride
sc-274089	2-[ (4-chlorophenyl) thio]propanoic acid