N-(3,5-difluorophenyl)sulfanylformamide

C7H5F2NOS — CID 145089873

IUPACN-(3,5-difluorophenyl)sulfanylformamide
SMILESO=CNSc1cc(F)cc(F)c1
InChIInChI=1S/C7H5F2NOS/c8-5-1-6(9)3-7(2-5)12-10-4-11/h1-4H,(H,10,11)
InChIKeyOWZZXMBJIHSLAA-UHFFFAOYSA-N
MW189.19 g/mol
LogP1.72
Rot. Bonds3

About N-(3,5-difluorophenyl)sulfanylformamide

N-(3,5-difluorophenyl)sulfanylformamide (PubChem CID 145089873) has the molecular formula C7H5F2NOS and a molecular weight of 189.19 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)sulfanylformamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)sulfanylformamide
PubChem CID145089873
Molecular FormulaC7H5F2NOS
Molecular Weight189.19 g/mol
Exact Mass189.01
IUPAC NameN-(3,5-difluorophenyl)sulfanylformamide
SMILESO=CNSc1cc(F)cc(F)c1
InChIInChI=1S/C7H5F2NOS/c8-5-1-6(9)3-7(2-5)12-10-4-11/h1-4H,(H,10,11)
InChIKeyOWZZXMBJIHSLAA-UHFFFAOYSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)sulfanylformamide?
The IUPAC name of N-(3,5-difluorophenyl)sulfanylformamide (CID 145089873) is N-(3,5-difluorophenyl)sulfanylformamide.
What is the SMILES notation for N-(3,5-difluorophenyl)sulfanylformamide?
The canonical SMILES for N-(3,5-difluorophenyl)sulfanylformamide is O=CNSc1cc(F)cc(F)c1.
What is the InChIKey of N-(3,5-difluorophenyl)sulfanylformamide?
The InChIKey is OWZZXMBJIHSLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NOS/c8-5-1-6(9)3-7(2-5)12-10-4-11/h1-4H,(H,10,11).
What are the key properties of N-(3,5-difluorophenyl)sulfanylformamide?
N-(3,5-difluorophenyl)sulfanylformamide has a molecular weight of 189.19 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)sulfanylformamide is sourced from PubChem (CID 145089873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).