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Allyl Mercaptan (>75%)

CAT: 0572-TRC-A614543-500MGSize: 500 mgDry Ice: NoHazardous: Yes
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CAT#:0572-TRC-A614543-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
870-23-5
Synonyms
1-Propene-3-thiol; 2-Propen-1-thio; Allylthiol; NSC 6744
Hazard Statement
Highly flammable liquid and vapour; UN number: UN1228; Packing Group: II
Smiles
SCC=C
Molecular Formula
C3H6S
Molecular Weight
74.14
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Allyl Mercaptan

2-Propene-1-thiol is an alkanethiol.

CAS Number870-23-5
PubChem CID13367
IUPAC Nameprop-2-ene-1-thiol
Molecular FormulaC3H6S
Molecular Weight74.15
XLogP1.2
Topological Polar Surface Area1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count4
Formal Charge0
Complexity17
SMILES
C=CCS
InChI
InChI=1S/C3H6S/c1-2-3-4/h2,4H,1,3H2
InChIKey
ULIKDJVNUXNQHS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Allyl Mercaptan
CAS: 870-23-5
CID: 13367
Formula: C3H6S
MW: 74.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight74.15
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass74.01902136
Monoisotopic Mass74.01902136
Topological Polar Surface Area1 Ų
Heavy Atom Count4
Formal Charge0
Complexity17.2
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

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