(3-amino-4-bromophenyl)thiourea

C7H8BrN3S — CID 91875495

IUPAC(3-amino-4-bromophenyl)thiourea
SMILESNC(=S)Nc1ccc(Br)c(N)c1
InChIInChI=1S/C7H8BrN3S/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,9H2,(H3,10,11,12)
InChIKeyRBQSKFFHCFGBFC-UHFFFAOYSA-N
MW246.13 g/mol
LogP1.69
Rot. Bonds1

About (3-amino-4-bromophenyl)thiourea

(3-amino-4-bromophenyl)thiourea (PubChem CID 91875495) has the molecular formula C7H8BrN3S and a molecular weight of 246.13 g/mol. Its IUPAC name is (3-amino-4-bromophenyl)thiourea.

Molecular Properties

Compound Name(3-amino-4-bromophenyl)thiourea
PubChem CID91875495
Molecular FormulaC7H8BrN3S
Molecular Weight246.13 g/mol
Exact Mass244.96
IUPAC Name(3-amino-4-bromophenyl)thiourea
SMILESNC(=S)Nc1ccc(Br)c(N)c1
InChIInChI=1S/C7H8BrN3S/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,9H2,(H3,10,11,12)
InChIKeyRBQSKFFHCFGBFC-UHFFFAOYSA-N
XLogP1.69
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.13
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-acetyl-3-bromophenyl)thiourea
CID 169358240
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
(2-bromo-5-methylphenyl)thiourea
CID 82757187
(5-acetyl-2-bromophenyl)thiourea
CID 169359829
N-(3-amino-4-bromophenyl)butanamide
CID 79768270
1-(3-amino-4-bromophenyl)-3-(3,4-dichlorophenyl)urea
CID 79767592
N-[2-bromo-4-(carbamothioylamino)phenyl]benzamide
CID 169358569
N-(3-amino-4-bromophenyl)-2-hydroxybenzamide
CID 79767428
3-(3-amino-4-bromophenyl)-1,1-diethylurea
CID 79767901
N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide
CID 79767572
2,3-dihydro-1H-benzotriazol-5-ylthiourea
CID 71588530
(4-chloro-3-methylphenyl)thiourea
CID 88635123

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-bromophenyl)thiourea?
The IUPAC name of (3-amino-4-bromophenyl)thiourea (CID 91875495) is (3-amino-4-bromophenyl)thiourea.
What is the SMILES notation for (3-amino-4-bromophenyl)thiourea?
The canonical SMILES for (3-amino-4-bromophenyl)thiourea is NC(=S)Nc1ccc(Br)c(N)c1.
What is the InChIKey of (3-amino-4-bromophenyl)thiourea?
The InChIKey is RBQSKFFHCFGBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3S/c8-5-2-1-4(3-6(5)9)11-7(10)12/h1-3H,9H2,(H3,10,11,12).
What are the key properties of (3-amino-4-bromophenyl)thiourea?
(3-amino-4-bromophenyl)thiourea has a molecular weight of 246.13 g/mol, XLogP of 1.69, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-bromophenyl)thiourea is sourced from PubChem (CID 91875495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).