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20818-34-2 | Butane, 2-[(2-chloroethyl)thio]-
CAS No: 20818-34-2 Catalog No: AG002JJY MDL No:
Product Description
Catalog Number:
AG002JJY
Chemical Name:
Butane, 2-[(2-chloroethyl)thio]-
CAS Number:
20818-34-2
Molecular Formula:
C6H13ClS
Molecular Weight:
152.6854
IUPAC Name:
2-(2-chloroethylsulfanyl)butane
InChI:
InChI=1S/C6H13ClS/c1-3-6(2)8-5-4-7/h6H,3-5H2,1-2H3
InChI Key:
SZWKDLZVWXCJGZ-UHFFFAOYSA-N
SMILES:
ClCCSC(CC)C
NSC Number:
44391
Properties
Complexity:
47.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.68g/mol
Monoisotopic Mass:
152.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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