S-Butyl Thiobenzoate

CAT: 0926-HAA26935-01Size: 100 mLDry Ice: NoHazardous: No

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CAT#:0926-HAA26935-01Size:100 mL

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CAS Number

7269-35-4

MDL Number

MFCD00039955

Smiles

CCCCSC (=O) C1=CC=CC=C1

Molecular Formula

C11H14OS

Molecular Weight

194.29 g/mol

Controlled

Chemical Information

S-Butyl Thiobenzoate

CAS Number	7269-35-4
PubChem CID	12373904
IUPAC Name	S-butyl benzenecarbothioate
Molecular Formula	C11H14OS
Molecular Weight	194.30
XLogP	3.6
Topological Polar Surface Area	42.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	13
Formal Charge	0
Complexity	150

SMILES

CCCCSC(=O)C1=CC=CC=C1

InChI

InChI=1S/C11H14OS/c1-2-3-9-13-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3

InChIKey

KXXZPIFZTPWOJJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7269-35-4

CID: 12373904

Formula: C11H14OS

MW: 194.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	194.30
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	194.07653624
Monoisotopic Mass	194.07653624
Topological Polar Surface Area	42.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	150
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

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Catalog	Name
sc-487474	S-Butyl Thiobenzoate
sc-272302	S-Hydroxymethyl thiobenzoate
TRC-F409240-50MG	(S)-Fluazifop-butyl
sc-507137	S-Butyl chlorothioformate
T84034-01	(S) -Butyl 2-hydroxybutanoate
OR96493-01	Butyl (S) -2-hydroxybutanoate
OR95390-01	Butyl (S) -2-hydroxypropanoate
sc-483952	(S) -Butyl 2-aminopropanoate
sc-236698	S-sec-Butyl chlorothioformate
sc-280074	S-n-Butyl thioacetate