5,5-Dimethyloxolane-3-thiol

CAT: 0926-KCD94249-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-KCD94249-01Size:50 mg

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CAS Number

1935942-49-6

MDL Number

MFCD30345332

Smiles

CC1 (CC (CO1) S) C

Molecular Formula

C6H12OS

Molecular Weight

132.23 g/mol

Controlled

Chemical Information

5,5-Dimethyloxolane-3-thiol

CAS Number	1935942-49-6
PubChem CID	126970924
IUPAC Name	5,5-dimethyloxolane-3-thiol
Molecular Formula	C6H12OS
Molecular Weight	132.23
XLogP	1.2
Topological Polar Surface Area	10.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	90

SMILES

CC1(CC(CO1)S)C

InChI

InChI=1S/C6H12OS/c1-6(2)3-5(8)4-7-6/h5,8H,3-4H2,1-2H3

InChIKey

LXINHHMJAKTNCG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1935942-49-6

CID: 126970924

Formula: C6H12OS

MW: 132.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.23
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	132.06088618
Monoisotopic Mass	132.06088618
Topological Polar Surface Area	10.2 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	90.5
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
KCD01789-01	5,5-Dimethyloxolane-3-sulfonamide
HAA47592-01	3,4-Dimethyloxolane-2,5-dione
DXC60553-01	3,5-Dimethyloxolane-2-carboxylic acid
IZC69118-01	2,5-Dimethyloxolane-3-carboxylic acid
YEA31491-01	5- (Bromomethyl) -2,2-dimethyloxolane
CJD61886-01	2- (Iodomethyl) -3,3-dimethyloxolane
CXA33185-01	5-Bromopyridine-3-thiol
MEA38986-01	2,2-Dimethyloxolane-3-carbonitrile
LIC71564-01	2,3-Dimethyloxolane-3-carboxylic acid
JHA21992-01	5,6-Dimethylpyridazine-3-thiol

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