1-amino-3-(2,6-dibromophenyl)thiourea

C7H7Br2N3S — CID 14319516

IUPAC1-amino-3-(2,6-dibromophenyl)thiourea
SMILESNNC(=S)Nc1c(Br)cccc1Br
InChIInChI=1S/C7H7Br2N3S/c8-4-2-1-3-5(9)6(4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChIKeyXXDHVUFTEJUMKN-UHFFFAOYSA-N
MW325.03 g/mol
LogP2.37
Rot. Bonds1

About 1-amino-3-(2,6-dibromophenyl)thiourea

1-amino-3-(2,6-dibromophenyl)thiourea (PubChem CID 14319516) has the molecular formula C7H7Br2N3S and a molecular weight of 325.03 g/mol. Its IUPAC name is 1-amino-3-(2,6-dibromophenyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(2,6-dibromophenyl)thiourea
PubChem CID14319516
Molecular FormulaC7H7Br2N3S
Molecular Weight325.03 g/mol
Exact Mass322.87
IUPAC Name1-amino-3-(2,6-dibromophenyl)thiourea
SMILESNNC(=S)Nc1c(Br)cccc1Br
InChIInChI=1S/C7H7Br2N3S/c8-4-2-1-3-5(9)6(4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChIKeyXXDHVUFTEJUMKN-UHFFFAOYSA-N
XLogP2.37
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.03
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-3-(2,6-dibromophenyl)thiourea
CID 107598629
1-amino-3-(4-bromophenyl)thiourea
CID 2735617
1-amino-3-(3-bromo-4-fluorophenyl)thiourea
CID 51000224
(2-bromo-6-chlorophenyl)hydrazine;dihydrochloride
CID 122163720
3-bromo-2-(carbamothioylamino)benzoic acid
CID 169356004
(3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide
CID 107602387
N'-(2,6-dibromophenyl)-N-[2-(hydrazinecarbonyl)phenyl]oxamide
CID 19845065
2-amino-N-(2,6-dibromophenyl)propanamide
CID 12546848
1-phenyl-3-(2,4,6-tribromophenyl)thiourea
CID 116507220
3-amino-N-(2-bromophenyl)-3-sulfanylidenepropanamide
CID 28942474
cis-(1R,3S)-3-[(2,6-dibromophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114093278
2,4-diamino-N-(2,6-dibromophenyl)benzamide
CID 107596119

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2,6-dibromophenyl)thiourea?
The IUPAC name of 1-amino-3-(2,6-dibromophenyl)thiourea (CID 14319516) is 1-amino-3-(2,6-dibromophenyl)thiourea.
What is the SMILES notation for 1-amino-3-(2,6-dibromophenyl)thiourea?
The canonical SMILES for 1-amino-3-(2,6-dibromophenyl)thiourea is NNC(=S)Nc1c(Br)cccc1Br.
What is the InChIKey of 1-amino-3-(2,6-dibromophenyl)thiourea?
The InChIKey is XXDHVUFTEJUMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Br2N3S/c8-4-2-1-3-5(9)6(4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13).
What are the key properties of 1-amino-3-(2,6-dibromophenyl)thiourea?
1-amino-3-(2,6-dibromophenyl)thiourea has a molecular weight of 325.03 g/mol, XLogP of 2.37, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2,6-dibromophenyl)thiourea is sourced from PubChem (CID 14319516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).