Home Halogens 2-[(1-aminobutan-2-yl)sulfanyl]-1,4-dichlorobenzene hydrochloride

2-[(1-aminobutan-2-yl)sulfanyl]-1,4-dichlorobenzene hydrochloride

CAS No.:
1311314-16-5
Catalog Number:
AG01AH5W
Molecular Formula:
C10H14Cl3NS
Molecular Weight:
286.6489
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Product Description
Catalog Number:
AG01AH5W
Chemical Name:
2-[(1-aminobutan-2-yl)sulfanyl]-1,4-dichlorobenzene hydrochloride
CAS Number:
1311314-16-5
Molecular Formula:
C10H14Cl3NS
Molecular Weight:
286.6489
MDL Number:
MFCD18483213
IUPAC Name:
2-(2,5-dichlorophenyl)sulfanylbutan-1-amine;hydrochloride
InChI:
InChI=1S/C10H13Cl2NS.ClH/c1-2-8(6-13)14-10-5-7(11)3-4-9(10)12;/h3-5,8H,2,6,13H2,1H3;1H
InChI Key:
CVVDHGFXJLZGEE-UHFFFAOYSA-N
SMILES:
CCC(Sc1cc(Cl)ccc1Cl)CN.Cl
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.991g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
286.639g/mol
Monoisotopic Mass:
284.991g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties