Pentyl Methanethiosulfonate

CAT: 0024-sc-212534Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0024-sc-212534Size:100 mg

Selected

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

Quick Request Actions

CAS Number

4212-64-0

Chemical Information

Pentyl methanethiosulfonate

CAS Number	4212-64-0
PubChem CID	4429536
IUPAC Name	1-methylsulfonylsulfanylpentane
Molecular Formula	C6H14O2S2
Molecular Weight	182.3
XLogP	1.8
Topological Polar Surface Area	67.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	155

SMILES

CCCCCSS(=O)(=O)C

InChI

InChI=1S/C6H14O2S2/c1-3-4-5-6-9-10(2,7)8/h3-6H2,1-2H3

InChIKey

NLAGODKDWMVHDO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4212-64-0

CID: 4429536

Formula: C6H14O2S2

MW: 182.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.3
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	182.04352203
Monoisotopic Mass	182.04352203
Topological Polar Surface Area	67.8 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	155
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-217001	4-Pentynyl Methanethiosulfonate
sc-214592	Benzyl Methanethiosulfonate
sc-217946	Colchicine Methanethiosulfonate
sc-211020	Carboxymethyl Methanethiosulfonate
sc-211882A	Methyl Methanethiosulfonate
sc-211372	Dodecyl Methanethiosulfonate
sc-208395	Sodium Methanethiosulfonate
sc-212590	Propargyl Methanethiosulfonate
sc-215144A	Hexadecyl Methanethiosulfonate
sc-280777	Hexyl Methanethiosulfonate

Catalog	Name
P3237-10	Pentyl Methanethiosulfonate
T8488-18A	[5- (Trimethylammonium) pentyl] Methanethiosulfonate Bromide (MTS-Pentyl)
MBS6039391-01	[5-(Trimethylammonium)pentyl] Methanethiosulfonate Bromide (MTS-Pentyl)
TRC-T795935-100MG	[5-(Trimethylammonium)pentyl] Methanethiosulfonate Bromide
TSH-00141-01	Dansylamidoethyl methanethiosulfonate
O5552-87	Octyl Methanethiosulfonate
H2034-88U	Hexadecyl Methanethiosulfonate
D1879-10	Decyl Methanethiosulfonate
262314-01	Benzyl methanethiosulfonate
262223-01	Benzocaine methanethiosulfonate