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13889-94-6 | Carbonochloridothioic acid, S-butyl ester
CAS No: 13889-94-6 Catalog No: AG0019RG MDL No:
Product Description
Catalog Number:
AG0019RG
Chemical Name:
Carbonochloridothioic acid, S-butyl ester
CAS Number:
13889-94-6
Molecular Formula:
C5H9ClOS
Molecular Weight:
152.6424
IUPAC Name:
S-butyl chloromethanethioate
InChI:
InChI=1S/C5H9ClOS/c1-2-3-4-8-5(6)7/h2-4H2,1H3
InChI Key:
YGLZPZAKCIKQKR-UHFFFAOYSA-N
SMILES:
CCCCSC(=O)Cl
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:
3
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