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2-Pentanethiol

CAS No.:
2084-19-7
Catalog Number:
AG002JOR
Molecular Formula:
C5H12S
Molecular Weight:
104.2138
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Product Description
Catalog Number:
AG002JOR
Chemical Name:
2-Pentanethiol
CAS Number:
2084-19-7
Molecular Formula:
C5H12S
Molecular Weight:
104.2138
MDL Number:
MFCD00053516
IUPAC Name:
pentane-2-thiol
InChI:
InChI=1S/C5H12S/c1-3-4-5(2)6/h5-6H,3-4H2,1-2H3
InChI Key:
QUSTYFNPKBDELJ-UHFFFAOYSA-N
SMILES:
CCCC(S)C
EC Number:
218-224-4
FEMA Number:
3792
Properties
Complexity:
27.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
104.066g/mol
Formal Charge:
0
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
104.211g/mol
Monoisotopic Mass:
104.066g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties