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NSC310272,10393-84-7, 3-(5-chloro-2-methylsulfanylphenyl)-1,1-dimethyl

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摘 要:NSC310272,10393-84-7, 3-(5-chloro-2-methylsulfanylphenyl)-1,1-dimethylurea,Canonical SMILES: CN(C)C(=O)NC1=C(C=CC(=C1)Cl)SC,InChI: InChI=1/C10H13ClN2OS/c1-13(2)10(14)12-8-6-7(11)4-5-9(8)15-3/h4-6H,1-3H3,,(H,12,14)/f/h12H,Molecular Weight244.74102 [g/
[Synonyms]
NSC310272
10393-84-7

[Structure]
NSC310272,10393-84-7, 3-(5-chloro-2-methylsulfanylphenyl)-1,1-dimethyl

[ Properties Computed from Structure]
Molecular Weight244.74102 [g/mol]
Molecular FormulaC10H13ClN2OS
XLogP2.4
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count2
Tautomer Count2
Exact Mass244.043711
MonoIsotopic Mass244.043711
Topological Polar Surface Area32.3
Heavy Atom Count15
Formal Charge0
Complexity226
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 3-(5-chloro-2-methylsulfanylphenyl)-1,1-dimethylurea
Canonical SMILES: CN(C)C(=O)NC1=C(C=CC(=C1)Cl)SC
InChI: InChI=1/C10H13ClN2OS/c1-13(2)10(14)12-8-6-7(11)4-5-9(8)15-3/h4-6H,1-3H3,
(H,12,14)/f/h12H

 
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