3- (benzylthio) benzaldehyde

CAT: 0127-OR1081989-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-OR1081989-01Size:250 mg

Selected

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

Quick Request Actions

CAS Number

128133-76-6

MDL Number

MFCD21760517

Purity

95%

Smiles

C1 (cccc (c1) SCc1ccccc1) C=O

Chemical Information

3-(Benzylsulfanyl)benzaldehyde

CAS Number	128133-76-6
PubChem CID	14855088
IUPAC Name	3-benzylsulfanylbenzaldehyde
Molecular Formula	C14H12OS
Molecular Weight	228.31
XLogP	3.4
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	16
Formal Charge	0
Complexity	211

SMILES

C1=CC=C(C=C1)CSC2=CC=CC(=C2)C=O

InChI

InChI=1S/C14H12OS/c15-10-13-7-4-8-14(9-13)16-11-12-5-2-1-3-6-12/h1-10H,11H2

InChIKey

RQUVTMHNOTWFMQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 128133-76-6

CID: 14855088

Formula: C14H12OS

MW: 228.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.31
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	228.06088618
Monoisotopic Mass	228.06088618
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	211
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
OR1093932	4- (Benzylthio) benzaldehyde
OR1101766-01	3- (Benzylthio) propanal
OR1010686-01	3- (Benzylthio) -Propionic Acid
OR26295	1- (benzylthio) -3-chloroadamantane
OR1061462-01	3- (Benzylthio) benzoic acid
OR1099088-01	3- (benzylthio) -5-bromopyridine
OR30328-01	4- (Benzylthio) -3-nitrobenzaldehyde
OR1039990-01	2- (Benzylthio) -3-nitropyridine
OR360698-01	3- (Benzylthio) phenylboronic acid
OR23486	3- (Benzylthio) -2-cyano-3-mercaptoacrylamide

Catalog	Name
sc-268569	(Benzylthio) acetone
TRC-B930550-1G	4-(Benzylthio)-N-(3-(benzylthio)benzyl)-N-ethylaniline
sc-265278	2- (Benzylthio) ethanol
sc-273952	2- (benzylthio) ethanamine
GTR19236461-01	8-Benzylthio-cAMP
B09627-01	A- (Benzylthio) acetone 98%
sc-228293	Hexakis (benzylthio) benzene
sc-305899	2- (Benzylthio) acetohydrazide
sc-273951	2- (benzylthio) aniline
261606-01	5-Benzylthio-1H-tetrazole