1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea

C9H12BrN3OS — CID 86133325

IUPAC1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea
SMILESNN(CCO)C(=S)Nc1ccc(Br)cc1
InChIInChI=1S/C9H12BrN3OS/c10-7-1-3-8(4-2-7)12-9(15)13(11)5-6-14/h1-4,14H,5-6,11H2,(H,12,15)
InChIKeyZFUGHKZVERZADB-UHFFFAOYSA-N
MW290.19 g/mol
LogP1.31
Rot. Bonds3

About 1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea

1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea (PubChem CID 86133325) has the molecular formula C9H12BrN3OS and a molecular weight of 290.19 g/mol. Its IUPAC name is 1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea
PubChem CID86133325
Molecular FormulaC9H12BrN3OS
Molecular Weight290.19 g/mol
Exact Mass288.99
IUPAC Name1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea
SMILESNN(CCO)C(=S)Nc1ccc(Br)cc1
InChIInChI=1S/C9H12BrN3OS/c10-7-1-3-8(4-2-7)12-9(15)13(11)5-6-14/h1-4,14H,5-6,11H2,(H,12,15)
InChIKeyZFUGHKZVERZADB-UHFFFAOYSA-N
XLogP1.31
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-bromophenyl)thiourea
CID 2735617
potassium N-(4-bromophenyl)carbamodithioate
CID 177254084
1-(2-hydroxyethyl)-1,3-diphenylthiourea
CID 838392
1-[(4-bromophenyl)methyl]-1-methyl-3-(4-propan-2-ylphenyl)thiourea
CID 8682379
(4-bromophenyl)urea
CID 16074
1-[4-(aminomethyl)phenyl]-3-(4-bromophenyl)urea
CID 68938927
[4-(4-bromophenoxy)phenyl]thiourea
CID 99938022
1-(4-aminophenyl)-3-(4-bromophenyl)urea
CID 43469017
1-(4-bromophenyl)-3-[4-[(4-chlorophenyl)carbamothioylamino]phenyl]thiourea
CID 18982691
N-(4-bromophenyl)-2-[cyclopentyl(2-hydroxyethyl)amino]acetamide
CID 60911559
1-(4-bromophenyl)-3-propylthiourea
CID 2244101
1-benzyl-3-(4-bromophenyl)-1-[[4-(dimethylamino)phenyl]methyl]thiourea
CID 4294910

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea?
The IUPAC name of 1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea (CID 86133325) is 1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea.
What is the SMILES notation for 1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea?
The canonical SMILES for 1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea is NN(CCO)C(=S)Nc1ccc(Br)cc1.
What is the InChIKey of 1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea?
The InChIKey is ZFUGHKZVERZADB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3OS/c10-7-1-3-8(4-2-7)12-9(15)13(11)5-6-14/h1-4,14H,5-6,11H2,(H,12,15).
What are the key properties of 1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea?
1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea has a molecular weight of 290.19 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-bromophenyl)-1-(2-hydroxyethyl)thiourea is sourced from PubChem (CID 86133325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).