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13012-54-9 | Ethanethioic acid, S-(3-chloropropyl) ester
CAS No: 13012-54-9 Catalog No: AG000U1I MDL No:MFCD00001002
Product Description
Catalog Number:
AG000U1I
Chemical Name:
Ethanethioic acid, S-(3-chloropropyl) ester
CAS Number:
13012-54-9
Molecular Formula:
C5H9ClOS
Molecular Weight:
152.6424
MDL Number:
MFCD00001002
IUPAC Name:
S-(3-chloropropyl) ethanethioate
InChI:
InChI=1S/C5H9ClOS/c1-5(7)8-4-2-3-6/h2-4H2,1H3
InChI Key:
IOLUCUQNAZTKMN-UHFFFAOYSA-N
SMILES:
CC(=O)SCCCCl
NSC Number:
163141
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:
152.006g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.636g/mol
Monoisotopic Mass:
152.006g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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