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24734-68-7 | Benzenepropanethiol
CAS No: 24734-68-7 Catalog No: AG002PA2 MDL No:MFCD00004903
Product Description
Catalog Number:
AG002PA2
Chemical Name:
Benzenepropanethiol
CAS Number:
24734-68-7
Molecular Formula:
C9H12S
Molecular Weight:
152.2566
MDL Number:
MFCD00004903
IUPAC Name:
3-phenylpropane-1-thiol
InChI:
InChI=1S/C9H12S/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
InChI Key:
IUSDGVJFDZRIBR-UHFFFAOYSA-N
SMILES:
SCCCc1ccccc1
EC Number:
246-440-9
Properties
Complexity:
74.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.066g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.255g/mol
Monoisotopic Mass:
152.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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