Diisopropyl Trisulfide

CAT: 0127-OR1038810-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1038810-01Size:1 g

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CAS Number

5943-34-0

MDL Number

MFCD00040042

Purity

98.0%

Smiles

CC(C)SSSC(C)C

Chemical Information

Diisopropyl trisulfide

See also: bis(1-METHYLETHYL)TRISULFIDE (annotation moved to).

CAS Number	5943-34-0
PubChem CID	80046
IUPAC Name	2-(propan-2-yltrisulfanyl)propane
Molecular Formula	C6H14S3
Molecular Weight	182.4
XLogP	2.9
Topological Polar Surface Area	75.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	53

SMILES

CC(C)SSSC(C)C

InChI

InChI=1S/C6H14S3/c1-5(2)7-9-8-6(3)4/h5-6H,1-4H3

InChIKey

WUZSBMCRYUJOEU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5943-34-0

CID: 80046

Formula: C6H14S3

MW: 182.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	182.4
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	182.02576397
Monoisotopic Mass	182.02576397
Topological Polar Surface Area	75.9 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	53.3
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
BUP14199-01	Diallyl Trisulfide
OR1026776-01	Dipropyl Trisulfide
OR1012804-01	Diallyl Trisulfide
OR1012947	Dimethyl Trisulfide
BUP17679-01	Dimethyl Trisulfide
PC31899	Diisopropyl difluoromethylphosphonate
OR93647	Diisopropyl malonate
BUP17940	Diisopropyl phthalate
OR1030730-01	Diisopropyl Malonate
OR1028918-01	Diisopropyl Chlorosilane