2-amino-8-chlorodibenzofuran-3-thiol

C12H8ClNOS — CID 167128348

IUPAC2-amino-8-chlorodibenzofuran-3-thiol
SMILESNc1cc2c(cc1S)oc1ccc(Cl)cc12
InChIInChI=1S/C12H8ClNOS/c13-6-1-2-10-7(3-6)8-4-9(14)12(16)5-11(8)15-10/h1-5,16H,14H2
InChIKeyDCUZDQZDDGDYDE-UHFFFAOYSA-N
MW249.72 g/mol
LogP4.11
Rot. Bonds

About 2-amino-8-chlorodibenzofuran-3-thiol

2-amino-8-chlorodibenzofuran-3-thiol (PubChem CID 167128348) has the molecular formula C12H8ClNOS and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-amino-8-chlorodibenzofuran-3-thiol.

Molecular Properties

Compound Name2-amino-8-chlorodibenzofuran-3-thiol
PubChem CID167128348
Molecular FormulaC12H8ClNOS
Molecular Weight249.72 g/mol
Exact Mass249.00
IUPAC Name2-amino-8-chlorodibenzofuran-3-thiol
SMILESNc1cc2c(cc1S)oc1ccc(Cl)cc12
InChIInChI=1S/C12H8ClNOS/c13-6-1-2-10-7(3-6)8-4-9(14)12(16)5-11(8)15-10/h1-5,16H,14H2
InChIKeyDCUZDQZDDGDYDE-UHFFFAOYSA-N
XLogP4.11
TPSA39.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2,3-Tetr amethylene-5-(p-chlor obenzenesulfonamido)benz ofuran
CID 1183841
3-(5-Chloro-1-benzofuran-2-yl)-4-fluoroaniline
CID 114731904
Benzenamine, 4-(5-chloro-2-benzofuryl)-
CID 618356
1-Chlorodibenzofuran-2-amine
CID 14896033
2-Chloro-8-nitrodibenzofuran
CID 22361375
8-Chlorodibenzofuran-2-amine
CID 22664184
8-chloro-N-[(4-methylsulfanylphenyl)methyl]dibenzofuran-2-amine
CID 142075902
8-Aminodibenzofuran-3-sulfinate
CID 145511435
7-Chloro-3-[(4-phenylphenyl)methylsulfanyl]dibenzofuran-2-amine
CID 167130245
2-Aminodibenzofuran-1-thiol
CID 169620122
4-Chloro-2-(2-ethyl-1-benzofuran-3-yl)aniline
CID 55193095
3-(5-Chloro-1-benzofuran-2-yl)-5-methylaniline
CID 107579693

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-chlorodibenzofuran-3-thiol?
The IUPAC name of 2-amino-8-chlorodibenzofuran-3-thiol (CID 167128348) is 2-amino-8-chlorodibenzofuran-3-thiol.
What is the SMILES notation for 2-amino-8-chlorodibenzofuran-3-thiol?
The canonical SMILES for 2-amino-8-chlorodibenzofuran-3-thiol is Nc1cc2c(cc1S)oc1ccc(Cl)cc12.
What is the InChIKey of 2-amino-8-chlorodibenzofuran-3-thiol?
The InChIKey is DCUZDQZDDGDYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClNOS/c13-6-1-2-10-7(3-6)8-4-9(14)12(16)5-11(8)15-10/h1-5,16H,14H2.
What are the key properties of 2-amino-8-chlorodibenzofuran-3-thiol?
2-amino-8-chlorodibenzofuran-3-thiol has a molecular weight of 249.72 g/mol, XLogP of 4.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-chlorodibenzofuran-3-thiol is sourced from PubChem (CID 167128348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).