2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide

C12H11FN2OS — CID 107780385

IUPAC2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Sc1ccoc1C
InChIInChI=1S/C12H11FN2OS/c1-7-9(5-6-16-7)17-10-4-2-3-8(13)11(10)12(14)15/h2-6H,1H3,(H3,14,15)
InChIKeyYHANIGQRKPXDKP-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.16
Rot. Bonds3

About 2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide

2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide (PubChem CID 107780385) has the molecular formula C12H11FN2OS and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
PubChem CID107780385
Molecular FormulaC12H11FN2OS
Molecular Weight250.30 g/mol
Exact Mass250.06
IUPAC Name2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(F)cccc1Sc1ccoc1C
InChIInChI=1S/C12H11FN2OS/c1-7-9(5-6-16-7)17-10-4-2-3-8(13)11(10)12(14)15/h2-6H,1H3,(H3,14,15)
InChIKeyYHANIGQRKPXDKP-UHFFFAOYSA-N
XLogP3.16
TPSA63.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-(4-fluorophenyl)-2-(2-furylmethylene)-1,4,5-thiadiazepin-3(2H)-imine hydrobromide
CID 40484267
[3-Fluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine
CID 43657611
[5-Fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]methanamine
CID 63673998
[3,5-Difluoro-4-(furan-2-ylmethylsulfanyl)phenyl]methanamine
CID 63807966
1-[5-fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]-N-methylmethanamine
CID 63809558
2-[5-Fluoro-2-(furan-2-ylmethylsulfanyl)phenyl]ethanamine
CID 63818290
6-(4-Fluorophenyl)-2-(furan-2-ylmethylidene)-1,4,5-thiadiazepin-3-imine
CID 74688445
[2-Fluoro-6-(furan-2-ylmethylsulfanyl)phenyl]methanamine
CID 79515356
[3-Fluoro-5-(furan-2-ylmethylsulfanyl)phenyl]methanamine
CID 102818581
2-(3-Fluorophenyl)-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107779852
3,5-difluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
CID 107780236
2-bromo-3-fluoro-N'-hydroxy-4-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide
CID 107780239

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide?
The IUPAC name of 2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide (CID 107780385) is 2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(F)cccc1Sc1ccoc1C.
What is the InChIKey of 2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide?
The InChIKey is YHANIGQRKPXDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS/c1-7-9(5-6-16-7)17-10-4-2-3-8(13)11(10)12(14)15/h2-6H,1H3,(H3,14,15).
What are the key properties of 2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide?
2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide has a molecular weight of 250.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(2-methylfuran-3-yl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 107780385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).