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87904-95-8 | 3-Thiomorpholinone, 5,6-dichloro-4-(1-methylethyl)-
CAS No: 87904-95-8 Catalog No: AG004FFH MDL No:
Product Description
Catalog Number:
AG004FFH
Chemical Name:
3-Thiomorpholinone, 5,6-dichloro-4-(1-methylethyl)-
CAS Number:
87904-95-8
Molecular Formula:
C7H11Cl2NOS
Molecular Weight:
228.1393
IUPAC Name:
5,6-dichloro-4-propan-2-ylthiomorpholin-3-one
InChI:
InChI=1S/C7H11Cl2NOS/c1-4(2)10-5(11)3-12-7(9)6(10)8/h4,6-7H,3H2,1-2H3
InChI Key:
MJQOVZBGMZKBBT-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)CSC(C1Cl)Cl)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.994g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.131g/mol
Monoisotopic Mass:
226.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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