(3-fluoro-2-iodophenyl)thiourea

C7H6FIN2S — CID 130498613

IUPAC(3-fluoro-2-iodophenyl)thiourea
SMILESNC(=S)Nc1cccc(F)c1I
InChIInChI=1S/C7H6FIN2S/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyLNFHHJQTSJWLAA-UHFFFAOYSA-N
MW296.11 g/mol
LogP2.09
Rot. Bonds1

About (3-fluoro-2-iodophenyl)thiourea

(3-fluoro-2-iodophenyl)thiourea (PubChem CID 130498613) has the molecular formula C7H6FIN2S and a molecular weight of 296.11 g/mol. Its IUPAC name is (3-fluoro-2-iodophenyl)thiourea.

Molecular Properties

Compound Name(3-fluoro-2-iodophenyl)thiourea
PubChem CID130498613
Molecular FormulaC7H6FIN2S
Molecular Weight296.11 g/mol
Exact Mass295.93
IUPAC Name(3-fluoro-2-iodophenyl)thiourea
SMILESNC(=S)Nc1cccc(F)c1I
InChIInChI=1S/C7H6FIN2S/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,(H3,10,11,12)
InChIKeyLNFHHJQTSJWLAA-UHFFFAOYSA-N
XLogP2.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.11
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(carbamothioylamino)-6-fluorobenzamide
CID 169356311
[2-(difluoromethyl)-3-fluorophenyl]thiourea
CID 169359532
2-ethyl-1-(3-fluoro-2-iodophenyl)guanidine
CID 130499719
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484
1-(3-fluoro-2-iodophenyl)-3-methylurea
CID 130164598
(2S)-2-amino-N-(3-fluoro-2-iodophenyl)propanamide
CID 130498725
[5-(carbamothioylamino)naphthalen-1-yl]thiourea
CID 102223311
(2-bromo-3-iodophenyl)thiourea
CID 22438170
(2-ethoxy-3-fluorophenyl)thiourea
CID 169358055
N-(3-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 113340885
1-amino-3-(2-chloro-3-fluorophenyl)thiourea
CID 51000226
N-(3-fluoro-2-iodophenyl)pyrrolidine-1-carboxamide
CID 75433885

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-iodophenyl)thiourea?
The IUPAC name of (3-fluoro-2-iodophenyl)thiourea (CID 130498613) is (3-fluoro-2-iodophenyl)thiourea.
What is the SMILES notation for (3-fluoro-2-iodophenyl)thiourea?
The canonical SMILES for (3-fluoro-2-iodophenyl)thiourea is NC(=S)Nc1cccc(F)c1I.
What is the InChIKey of (3-fluoro-2-iodophenyl)thiourea?
The InChIKey is LNFHHJQTSJWLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FIN2S/c8-4-2-1-3-5(6(4)9)11-7(10)12/h1-3H,(H3,10,11,12).
What are the key properties of (3-fluoro-2-iodophenyl)thiourea?
(3-fluoro-2-iodophenyl)thiourea has a molecular weight of 296.11 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-iodophenyl)thiourea is sourced from PubChem (CID 130498613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).