2- (n-Pentylthio) ethanol

CAT: 0024-sc-499420Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-499420Size:5 g

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CAS Number

26901-96-2

Chemical Information

Amyl 2-hydroxyethyl sulfide

CAS Number	26901-96-2
PubChem CID	256808
IUPAC Name	2-pentylsulfanylethanol
Molecular Formula	C7H16OS
Molecular Weight	148.27
XLogP	2
Topological Polar Surface Area	45.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	9
Formal Charge	0
Complexity	48

SMILES

CCCCCSCCO

InChI

InChI=1S/C7H16OS/c1-2-3-4-6-9-7-5-8/h8H,2-7H2,1H3

InChIKey

GMCYCIFSAJJFSY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26901-96-2

CID: 256808

Formula: C7H16OS

MW: 148.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.27
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	148.09218630
Monoisotopic Mass	148.09218630
Topological Polar Surface Area	45.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	48.2
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
sc-474893	Tetrakis (pentylthio) tetrathiafulvalene
sc-211960	N- (2-Pyridylamino) ethanol
sc-274024	2- (n-Propylthio) ethanol
sc-223261	2- (N-Ethylanilino) ethanol
sc-229866	2- (N-Ethyl-N-m-toluidino) ethanol
sc-272367	(S) -1-N-Boc-piperidine-2-ethanol
sc-272212	(R) -1-N-Boc-piperidine-2-ethanol
sc-480500	β- (N-Acetoacetylamino) ethanol-d4
sc-274008	2- (Isopropylthio) ethanol
sc-273999	2- (Ethylsulfonyl) ethanol

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