2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol

C11H13Cl2NOS — CID 107678851

IUPAC2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol
SMILESCC1CC(Nc2cc(Cl)c(O)c(Cl)c2)CS1
InChIInChI=1S/C11H13Cl2NOS/c1-6-2-8(5-16-6)14-7-3-9(12)11(15)10(13)4-7/h3-4,6,8,14-15H,2,5H2,1H3
InChIKeyDVLSWMUQRFZAFH-UHFFFAOYSA-N
MW278.20 g/mol
LogP4.00
Rot. Bonds2

About 2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol

2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol (PubChem CID 107678851) has the molecular formula C11H13Cl2NOS and a molecular weight of 278.20 g/mol. Its IUPAC name is 2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol
PubChem CID107678851
Molecular FormulaC11H13Cl2NOS
Molecular Weight278.20 g/mol
Exact Mass277.01
IUPAC Name2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol
SMILESCC1CC(Nc2cc(Cl)c(O)c(Cl)c2)CS1
InChIInChI=1S/C11H13Cl2NOS/c1-6-2-8(5-16-6)14-7-3-9(12)11(15)10(13)4-7/h3-4,6,8,14-15H,2,5H2,1H3
InChIKeyDVLSWMUQRFZAFH-UHFFFAOYSA-N
XLogP4.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-(3,4,5-trifluorophenyl)thiolan-3-amine
CID 79949375
2,6-dichloro-4-[(1-cyclopropyl-5-methylpyrrolidin-3-yl)amino]phenol
CID 107679322
2,6-dichloro-4-(thiolan-3-ylamino)phenol
CID 107678926
N-(2,5-dichlorophenyl)-5-methylthiolan-3-amine
CID 79942146
2,6-dichloro-4-(cyclobutylamino)phenol
CID 107679292
N-(4-chloro-3-nitrophenyl)-5-methylthiolan-3-amine
CID 79942460
N-(5-bromo-2-chlorophenyl)-5-methylthiolan-3-amine
CID 79949965
5-methyl-N-(3-propan-2-ylphenyl)thiolan-3-amine
CID 79941422
N-methyl-3-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942700
2,6-dichloro-4-[(4-propan-2-ylcyclohexyl)amino]phenol
CID 107679381
1-methyl-3-[4-[(5-methylthiolan-3-yl)amino]phenyl]urea
CID 79942286
3-N,3-N-dimethyl-1-N-(5-methylthiolan-3-yl)benzene-1,3-diamine
CID 115376345

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol?
The IUPAC name of 2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol (CID 107678851) is 2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol?
The canonical SMILES for 2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol is CC1CC(Nc2cc(Cl)c(O)c(Cl)c2)CS1.
What is the InChIKey of 2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol?
The InChIKey is DVLSWMUQRFZAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2NOS/c1-6-2-8(5-16-6)14-7-3-9(12)11(15)10(13)4-7/h3-4,6,8,14-15H,2,5H2,1H3.
What are the key properties of 2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol?
2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol has a molecular weight of 278.20 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(5-methylthiolan-3-yl)amino]phenol is sourced from PubChem (CID 107678851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).