4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea

C13H12Cl2N2O3S — CID 146661586

IUPAC4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea
SMILESNC(N)=O.Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O
InChIInChI=1S/C12H8Cl2O2S.CH4N2O/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16;2-1(3)4/h1-6,15-16H;(H4,2,3,4)
InChIKeyUKMVIFGYAJOWEH-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.58
Rot. Bonds2

About 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea

4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea (PubChem CID 146661586) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea.

Molecular Properties

Compound Name4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea
PubChem CID146661586
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea
SMILESNC(N)=O.Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O
InChIInChI=1S/C12H8Cl2O2S.CH4N2O/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16;2-1(3)4/h1-6,15-16H;(H4,2,3,4)
InChIKeyUKMVIFGYAJOWEH-UHFFFAOYSA-N
XLogP3.58
TPSA109.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-methylsulfanylphenol
CID 13199339
4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;2,3,5-tris(aziridin-1-yl)cyclohexa-2,5-diene-1,4-dione
CID 87547766
3-(5-chloro-2-hydroxyphenyl)-2,3-dihydroxypropanamide
CID 171867764
2-amino-4-chlorophenol;carbon dioxide
CID 160735272
3-chloro-5-(5-chloro-2-hydroxyphenyl)sulfanylbenzonitrile
CID 69077494
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
2-benzhydrylsulfanyl-4-chlorophenol
CID 139616974
2-(4-chlorophenyl)sulfanyl-4-methylphenol
CID 21411344
4-chloro-2-[(5-chloro-2-methoxyphenyl)disulfanyl]phenol
CID 144977833
(5-chloro-2-hydroxyphenyl)-(3,5-dichlorophenyl)methanone
CID 58962676
5-chloro-2-hydroxybenzenecarbothioamide
CID 135760562
5-chloro-2-(4-chlorophenyl)sulfanylphenol
CID 21430256

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea?
The IUPAC name of 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea (CID 146661586) is 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea.
What is the SMILES notation for 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea?
The canonical SMILES for 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea is NC(N)=O.Oc1ccc(Cl)cc1Sc1cc(Cl)ccc1O.
What is the InChIKey of 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea?
The InChIKey is UKMVIFGYAJOWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2S.CH4N2O/c13-7-1-3-9(15)11(5-7)17-12-6-8(14)2-4-10(12)16;2-1(3)4/h1-6,15-16H;(H4,2,3,4).
What are the key properties of 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea?
4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea has a molecular weight of 347.22 g/mol, XLogP of 3.58, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(5-chloro-2-hydroxyphenyl)sulfanylphenol;urea is sourced from PubChem (CID 146661586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).