Sec-Butyl disulfide

CAT: 0024-sc-236864ASize: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-236864ASize:1 g

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CAS Number

5943-30-6

Chemical Information

Di-sec-butyl disulfide

CAS Number	5943-30-6
PubChem CID	94314
IUPAC Name	2-(butan-2-yldisulfanyl)butane
Molecular Formula	C8H18S2
Molecular Weight	178.4
XLogP	3.6
Topological Polar Surface Area	50.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	63

SMILES

CCC(C)SSC(C)CC

InChI

InChI=1S/C8H18S2/c1-5-7(3)9-10-8(4)6-2/h7-8H,5-6H2,1-4H3

InChIKey

QTWKINKGAHTPFJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5943-30-6

CID: 94314

Formula: C8H18S2

MW: 178.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	178.4
XLogP3	3.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	178.08499292
Monoisotopic Mass	178.08499292
Topological Polar Surface Area	50.6 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	63.7
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
B28590	Sec-Butyl disulfide Tech. Grade
OR1012578-01	Butyl Disulfide
TRC-D493745-10G	Di-tert-Butyl Disulfide
B28600-01	Tert-Butyl disulfide 97%
B28580-01	N-Butyl Disulfide 98%
OR91350-01	Bis (4-tert-butyl-2,6-dimethylphenyl) disulfide
TRC-B692440-1G	Butyl sec-Butyl Phthalate
465988-01	Sec-Butyl Acetate
TRC-B699330-5G	sec-Butyl Acetate
TRC-B692975-750MG	sec-Butyl Cypionate