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676167-21-8 | 2(1H)-Pyrimidinethione, 5-(2,4-dichlorophenoxy)tetrahydro-
CAS No: 676167-21-8 Catalog No: AG005LL5 MDL No:
Product Description
Catalog Number:
AG005LL5
Chemical Name:
2(1H)-Pyrimidinethione, 5-(2,4-dichlorophenoxy)tetrahydro-
CAS Number:
676167-21-8
Molecular Formula:
C10H10Cl2N2OS
Molecular Weight:
277.1702
IUPAC Name:
5-(2,4-dichlorophenoxy)-1,3-diazinane-2-thione
InChI:
InChI=1S/C10H10Cl2N2OS/c11-6-1-2-9(8(12)3-6)15-7-4-13-10(16)14-5-7/h1-3,7H,4-5H2,(H2,13,14,16)
InChI Key:
CQIWXUUFHBXATK-UHFFFAOYSA-N
SMILES:
S=C1NCC(CN1)Oc1ccc(cc1Cl)Cl
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.989g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
277.163g/mol
Monoisotopic Mass:
275.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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