N-(4-bromophenyl)-N-hydroxybenzenecarbothioamide

C13H10BrNOS — CID 15818186

IUPACN-(4-bromophenyl)-N-hydroxybenzenecarbothioamide
SMILESON(C(=S)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrNOS/c14-11-6-8-12(9-7-11)15(16)13(17)10-4-2-1-3-5-10/h1-9,16H
InChIKeyGDTYZDIJSGNHEK-UHFFFAOYSA-N
MW308.20 g/mol
LogP4.02
Rot. Bonds2

About N-(4-bromophenyl)-N-hydroxybenzenecarbothioamide

N-(4-bromophenyl)-N-hydroxybenzenecarbothioamide (PubChem CID 15818186) has the molecular formula C13H10BrNOS and a molecular weight of 308.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-hydroxybenzenecarbothioamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-hydroxybenzenecarbothioamide
PubChem CID15818186
Molecular FormulaC13H10BrNOS
Molecular Weight308.20 g/mol
Exact Mass306.97
IUPAC NameN-(4-bromophenyl)-N-hydroxybenzenecarbothioamide
SMILESON(C(=S)c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C13H10BrNOS/c14-11-6-8-12(9-7-11)15(16)13(17)10-4-2-1-3-5-10/h1-9,16H
InChIKeyGDTYZDIJSGNHEK-UHFFFAOYSA-N
XLogP4.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-N-hydroxybenzenecarbothioamide
CID 86091278
4-bromo-N-hydroxy-N-phenylbenzamide
CID 25115715
N,N-bis(4-bromophenyl)-4-(1,2,2-triphenylethenyl)aniline
CID 132556766
1-bromo-4-(2-methyl-1-phenylprop-1-enyl)benzene
CID 15039495
1-(4-bromophenyl)-2-(N-hydroxyanilino)ethanone
CID 152595651
N-(benzenecarbonothioyl)-N-[2-[bis(benzenecarbonothioyl)amino]ethyl]benzenecarbothioamide
CID 88799904
N-phenyl-N-(silylmethyl)benzenecarbothioamide
CID 164985077
bicyclo[2.2.0]hexa-1(4),2,5-triene;1-hydroxy-1-phenylthiourea
CID 21412665
1-bromo-4-[(E)-2-bromo-1-phenylethenyl]benzene
CID 44719904
(4-bromophenyl)methyl benzenecarbodithioate
CID 101118785
bromo(113C)cyclohexatriene
CID 11094888
bromo(413C)cyclohexatriene
CID 66995401

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-hydroxybenzenecarbothioamide?
The IUPAC name of N-(4-bromophenyl)-N-hydroxybenzenecarbothioamide (CID 15818186) is N-(4-bromophenyl)-N-hydroxybenzenecarbothioamide.
What is the SMILES notation for N-(4-bromophenyl)-N-hydroxybenzenecarbothioamide?
The canonical SMILES for N-(4-bromophenyl)-N-hydroxybenzenecarbothioamide is ON(C(=S)c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-hydroxybenzenecarbothioamide?
The InChIKey is GDTYZDIJSGNHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNOS/c14-11-6-8-12(9-7-11)15(16)13(17)10-4-2-1-3-5-10/h1-9,16H.
What are the key properties of N-(4-bromophenyl)-N-hydroxybenzenecarbothioamide?
N-(4-bromophenyl)-N-hydroxybenzenecarbothioamide has a molecular weight of 308.20 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-hydroxybenzenecarbothioamide is sourced from PubChem (CID 15818186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).