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N-Undecyl Sulfide

CAT: 0286-U00700Size: 10 gDry Ice: NoHazardous: No
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CAT#:0286-U00700Size:10 g
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CAS Number
35599-82-7
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00026551
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H320 Causes eye irritation; H332 Harmful if inhaled.
DOT Name
Not D.O.T.-Regulated
Precautions
P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Undecyl sulfide
CAS Number35599-82-7
PubChem CID292595
IUPAC Name1-undecylsulfanylundecane
Molecular FormulaC22H46S
Molecular Weight342.7
XLogP11
Topological Polar Surface Area25.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count20
Heavy Atom Count23
Formal Charge0
Complexity170
SMILES
CCCCCCCCCCCSCCCCCCCCCCC
InChI
InChI=1S/C22H46S/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
InChIKey
RDOYGXODZMRGKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Undecyl sulfide
CAS: 35599-82-7
CID: 292595
Formula: C22H46S
MW: 342.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight342.7
XLogP311
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count20
Exact Mass342.33202264
Monoisotopic Mass342.33202264
Topological Polar Surface Area25.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity170
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes