1-amino-3-(4-bromophenyl)thiourea

C7H8BrN3S — CID 2735617

IUPAC1-amino-3-(4-bromophenyl)thiourea
SMILESNNC(=S)Nc1ccc(Br)cc1
InChIInChI=1S/C7H8BrN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChIKeyACKSCWQUPJXVIC-UHFFFAOYSA-N
MW246.13 g/mol
LogP1.61
Rot. Bonds1

About 1-amino-3-(4-bromophenyl)thiourea

1-amino-3-(4-bromophenyl)thiourea (PubChem CID 2735617) has the molecular formula C7H8BrN3S and a molecular weight of 246.13 g/mol. Its IUPAC name is 1-amino-3-(4-bromophenyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(4-bromophenyl)thiourea
PubChem CID2735617
Molecular FormulaC7H8BrN3S
Molecular Weight246.13 g/mol
Exact Mass244.96
IUPAC Name1-amino-3-(4-bromophenyl)thiourea
SMILESNNC(=S)Nc1ccc(Br)cc1
InChIInChI=1S/C7H8BrN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12)
InChIKeyACKSCWQUPJXVIC-UHFFFAOYSA-N
XLogP1.61
TPSA50.08 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 ≤ 51.61
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-amino-3-(4-iodophenyl)thiourea
CID 2759372
1-(4-bromophenyl)-3-[4-[(4-chlorophenyl)carbamothioylamino]phenyl]thiourea
CID 18982691
1-amino-3-[4-(aminomethyl)phenyl]thiourea
CID 151819170
1-amino-3-(3-bromo-4-fluorophenyl)thiourea
CID 51000224
potassium N-(4-bromophenyl)carbamodithioate
CID 177254084
1-amino-3-(4-phenoxyphenyl)thiourea
CID 2760348
1-(4-bromophenyl)-3-propylthiourea
CID 2244101
1-amino-3-(4-bromo-2-methylphenyl)thiourea
CID 28934698
1-(4-bromophenyl)-3-(4-phenyldiazenylphenyl)thiourea
CID 5048508
1-amino-3-[4-(trifluoromethoxy)phenyl]thiourea
CID 2732842
1-(4-bromophenyl)-3-(2,6-dimethylphenyl)thiourea
CID 3652631
methyl N-[(4-bromophenyl)carbamothioylamino]carbamate
CID 971874

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-bromophenyl)thiourea?
The IUPAC name of 1-amino-3-(4-bromophenyl)thiourea (CID 2735617) is 1-amino-3-(4-bromophenyl)thiourea.
What is the SMILES notation for 1-amino-3-(4-bromophenyl)thiourea?
The canonical SMILES for 1-amino-3-(4-bromophenyl)thiourea is NNC(=S)Nc1ccc(Br)cc1.
What is the InChIKey of 1-amino-3-(4-bromophenyl)thiourea?
The InChIKey is ACKSCWQUPJXVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3S/c8-5-1-3-6(4-2-5)10-7(12)11-9/h1-4H,9H2,(H2,10,11,12).
What are the key properties of 1-amino-3-(4-bromophenyl)thiourea?
1-amino-3-(4-bromophenyl)thiourea has a molecular weight of 246.13 g/mol, XLogP of 1.61, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-bromophenyl)thiourea is sourced from PubChem (CID 2735617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).