2-(furan-2-yl)-5-nitrobenzenethiol

C10H7NO3S — CID 168527831

IUPAC2-(furan-2-yl)-5-nitrobenzenethiol
SMILESO=[N+]([O-])c1ccc(-c2ccco2)c(S)c1
InChIInChI=1S/C10H7NO3S/c12-11(13)7-3-4-8(10(15)6-7)9-2-1-5-14-9/h1-6,15H
InChIKeyGUAZIAAYYRBJJB-UHFFFAOYSA-N
MW221.24 g/mol
LogP3.14
Rot. Bonds2

About 2-(furan-2-yl)-5-nitrobenzenethiol

2-(furan-2-yl)-5-nitrobenzenethiol (PubChem CID 168527831) has the molecular formula C10H7NO3S and a molecular weight of 221.24 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-nitrobenzenethiol.

Molecular Properties

Compound Name2-(furan-2-yl)-5-nitrobenzenethiol
PubChem CID168527831
Molecular FormulaC10H7NO3S
Molecular Weight221.24 g/mol
Exact Mass221.01
IUPAC Name2-(furan-2-yl)-5-nitrobenzenethiol
SMILESO=[N+]([O-])c1ccc(-c2ccco2)c(S)c1
InChIInChI=1S/C10H7NO3S/c12-11(13)7-3-4-8(10(15)6-7)9-2-1-5-14-9/h1-6,15H
InChIKeyGUAZIAAYYRBJJB-UHFFFAOYSA-N
XLogP3.14
TPSA56.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-5-nitrophenyl)furan
CID 15318128
[2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone
CID 168528552
4-(furan-2-yl)-3-nitrophenol
CID 168528827
2-[2-nitro-5-(trifluoromethyl)phenyl]furan
CID 168526595
3-(furan-2-yl)-5-nitro-1H-indazole
CID 76847948
2-(4-bromo-2-methyl-5-nitrophenyl)furan
CID 168525004
4-(furan-2-yl)-2-nitrophenol
CID 53221595
2-(4-butyl-2-nitrophenyl)furan
CID 168524592
2-[(E)-(2,4,7-trinitrofluoren-9-ylidene)methyl]furan
CID 6510728
4-[4-(furan-2-yl)-6-nitroquinolin-2-yl]piperazine-1-carbaldehyde
CID 86599783
5-(furan-2-yl)-3-[(4-nitrophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 25063897
[4-(furan-2-yl)-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone
CID 168527760

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-nitrobenzenethiol?
The IUPAC name of 2-(furan-2-yl)-5-nitrobenzenethiol (CID 168527831) is 2-(furan-2-yl)-5-nitrobenzenethiol.
What is the SMILES notation for 2-(furan-2-yl)-5-nitrobenzenethiol?
The canonical SMILES for 2-(furan-2-yl)-5-nitrobenzenethiol is O=[N+]([O-])c1ccc(-c2ccco2)c(S)c1.
What is the InChIKey of 2-(furan-2-yl)-5-nitrobenzenethiol?
The InChIKey is GUAZIAAYYRBJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3S/c12-11(13)7-3-4-8(10(15)6-7)9-2-1-5-14-9/h1-6,15H.
What are the key properties of 2-(furan-2-yl)-5-nitrobenzenethiol?
2-(furan-2-yl)-5-nitrobenzenethiol has a molecular weight of 221.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-nitrobenzenethiol is sourced from PubChem (CID 168527831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).