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3-Chloropropylene Sulfide

CAT: 0572-TRC-B415958-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B415958-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3221-15-6
Hazard Statement
Fatal if swallowed; UN number: UN2927; Packing Group: II
Smiles
ClCC1CS1
Molecular Formula
C3 H5 S Cl
Molecular Weight
108.58
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Epithiochlorohydrin
CAS Number3221-15-6
PubChem CID18588
IUPAC Name2-(chloromethyl)thiirane
Molecular FormulaC3H5ClS
Molecular Weight108.59
XLogP1.3
Topological Polar Surface Area25.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count5
Formal Charge0
Complexity37
SMILES
C1C(S1)CCl
InChI
InChI=1S/C3H5ClS/c4-1-3-2-5-3/h3H,1-2H2
InChIKey
XRWMHJJHPQTTLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Epithiochlorohydrin
CAS: 3221-15-6
CID: 18588
Formula: C3H5ClS
MW: 108.59
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight108.59
XLogP31.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass107.9800490
Monoisotopic Mass107.9800490
Topological Polar Surface Area25.3 Ų
Heavy Atom Count5
Formal Charge0
Complexity37.9
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
sc-2761883-Chloropropyl phenyl sulfide
PC1072173,3,3-Trifluoropropyl 3-bromophenyl sulfide
OR9562683-Nitro phenyl ethyl sulfide
PC107901Benzyl 2,2,3,3-tetrafluoropropyl sulfide
PC107900Benzyl 2,2,3,3,3-pentafluoropropyl sulfide
sc-3415632-bromoethyl 3,4-dimethylphenyl sulfide
OR10836433-Chloro-6-ethoxyphenyl methyl sulfide
sc-487543Bis (4-hydroxy-3-methylphenyl) Sulfide
PC1068952,3,5,6-Tetrafluorophenyl sulfide
B28733-Bromothioanisole (2-Bromophenyl Methyl Sulfide)

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