(3-fluoroanilino)thiourea

C7H8FN3S — CID 1482872

IUPAC(3-fluoroanilino)thiourea
SMILESNC(=S)NNc1cccc(F)c1
InChIInChI=1S/C7H8FN3S/c8-5-2-1-3-6(4-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12)
InChIKeyLPGMSLYPRRFXDI-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.99
Rot. Bonds2

About (3-fluoroanilino)thiourea

(3-fluoroanilino)thiourea (PubChem CID 1482872) has the molecular formula C7H8FN3S and a molecular weight of 185.23 g/mol. Its IUPAC name is (3-fluoroanilino)thiourea.

Molecular Properties

Compound Name(3-fluoroanilino)thiourea
PubChem CID1482872
Molecular FormulaC7H8FN3S
Molecular Weight185.23 g/mol
Exact Mass185.04
IUPAC Name(3-fluoroanilino)thiourea
SMILESNC(=S)NNc1cccc(F)c1
InChIInChI=1S/C7H8FN3S/c8-5-2-1-3-6(4-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12)
InChIKeyLPGMSLYPRRFXDI-UHFFFAOYSA-N
XLogP0.99
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(3-fluorophenyl)cyclobutanecarbohydrazide
CID 169221984
3-amino-2-(3-fluoroanilino)benzamide
CID 112577784
3-fluoro-N-methylaniline
CID 2759011
4-(3-fluoroanilino)-3-methylbenzenecarbothioamide
CID 54934525
1-amino-1-ethyl-3-(3-fluorophenyl)thiourea
CID 134112981
3-fluoro-N-phenylaniline
CID 2774466
4-(2-amino-2-sulfanylideneethyl)-N-(3-fluorophenyl)benzamide
CID 82179496
N,N-dimethylmethanamine;2-[2-(3-fluorophenyl)hydrazinyl]ethanamine
CID 174466029
4-fluoro-2-[(3-fluorophenyl)carbamoylamino]benzamide
CID 156854097
1-fluoro-3-(sulfamoylamino)benzene
CID 112573204
N-(3-fluorophenyl)carbamoyl iodide
CID 143189904
(3-fluorophenyl)carbamic acid;hydrochloride
CID 70589934

Frequently Asked Questions

What is the IUPAC name of (3-fluoroanilino)thiourea?
The IUPAC name of (3-fluoroanilino)thiourea (CID 1482872) is (3-fluoroanilino)thiourea.
What is the SMILES notation for (3-fluoroanilino)thiourea?
The canonical SMILES for (3-fluoroanilino)thiourea is NC(=S)NNc1cccc(F)c1.
What is the InChIKey of (3-fluoroanilino)thiourea?
The InChIKey is LPGMSLYPRRFXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3S/c8-5-2-1-3-6(4-5)10-11-7(9)12/h1-4,10H,(H3,9,11,12).
What are the key properties of (3-fluoroanilino)thiourea?
(3-fluoroanilino)thiourea has a molecular weight of 185.23 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoroanilino)thiourea is sourced from PubChem (CID 1482872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).