(S) - (-) -1,2-Epithiooctane

CAT: 0024-sc-229176Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-229176Size:100 mg

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CAS Number

244221-84-9

Chemical Information

Thiirane, hexyl-

CAS Number	244221-84-9
PubChem CID	534674
IUPAC Name	2-hexylthiirane
Molecular Formula	C8H16S
Molecular Weight	144.28
XLogP	3.6
Topological Polar Surface Area	25.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	71

SMILES

CCCCCCC1CS1

InChI

InChI=1S/C8H16S/c1-2-3-4-5-6-8-7-9-8/h8H,2-7H2,1H3

InChIKey

FUCNFCAABRZCTR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 244221-84-9

CID: 534674

Formula: C8H16S

MW: 144.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.28
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	5
Exact Mass	144.09727168
Monoisotopic Mass	144.09727168
Topological Polar Surface Area	25.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	71
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-236702	(S, S) - (-) -1- (1-Naphthyl) -2- (2-naphthyl) -1,2-ethanediol
sc-255529	(S, S) - (-) -2-Amino-1,2-diphenylethanol
sc-213564	(1'S,2'S) -Nicotine 1'-Oxide
sc-236703	(S,S)-(-)-1,2-Di(1-naphthyl)-1,2-ethanediol
sc-485164	(S, S'') -2,2''-Bis[ (S) -4-isopropyloxazolin-2-yl]-1,1''-biferrocene
sc-301738A	(S, S) -1,2-Di (2-pyridyl) -1,2-ethanediamine dihydrochloride
sc-301738	(S, S) -1,2-Di (2-pyridyl) -1,2-ethanediamine dihydrochloride
sc-301727	(S, S) -1,2-Bis (2-chlorophenyl) -1,2-ethanediamine dihydrochloride
sc-213565	(1'S,2'S) -Nicotine 1'-Oxide and (1'R,2'S) -Nicotine 1'-Oxide Mixture
sc-301727A	(S, S) -1,2-Bis (2-chlorophenyl) -1,2-ethanediamine dihydrochloride

Catalog	Name
RG-E141219-01	1,1,2,2-Tetraethyl 1,1,2,2-ethanetetracarboxylate
RG-E140468-01	1,1,1,2,2,2-hexamethyldisilane
OR96366-01	1,1,1,2,2,2-Hexaphenyldisilane
JH432361	1,1,1,2-tetrafluoro-2- (1,2,2,2-tetrafluoroethoxy) ethane
JH920109	2-Bromo-1,1':2',1'':2'',1'''-quaterphenyl
OR1052394-01	[1,1':2',1'':2'',1'''-Quaterphenyl]-2-amine
JH920110	[1,1′:2′,1′′:2′′,1′′′-Quaterphenyl]-2-amine
OR1020893	1,1,2,2-Tetramethyl ethane-1,1,2,2-tetracarboxylate
PC8729	1-Bromo-1,1,2,2-tetrafluoro-2- (1,2,2,2-tetrafluoroethoxy) ethane
TRC-Q509450-2.5G	1,1':2',1'':2'',1'''-Quaterphenyl