N-hydroxy-4-methoxybenzenecarbothioamide

C8H9NO2S — CID 12637483

IUPACN-hydroxy-4-methoxybenzenecarbothioamide
SMILESCOc1ccc(C(=S)NO)cc1
InChIInChI=1S/C8H9NO2S/c1-11-7-4-2-6(3-5-7)8(12)9-10/h2-5,10H,1H3,(H,9,12)
InChIKeyFRYKHOXCKSACLY-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.35
Rot. Bonds2

About N-hydroxy-4-methoxybenzenecarbothioamide

N-hydroxy-4-methoxybenzenecarbothioamide (PubChem CID 12637483) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is N-hydroxy-4-methoxybenzenecarbothioamide.

Molecular Properties

Compound NameN-hydroxy-4-methoxybenzenecarbothioamide
PubChem CID12637483
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC NameN-hydroxy-4-methoxybenzenecarbothioamide
SMILESCOc1ccc(C(=S)NO)cc1
InChIInChI=1S/C8H9NO2S/c1-11-7-4-2-6(3-5-7)8(12)9-10/h2-5,10H,1H3,(H,9,12)
InChIKeyFRYKHOXCKSACLY-UHFFFAOYSA-N
XLogP1.35
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-methoxy-N-(4-methylpyridin-1-ium-1-yl)benzenecarbothioamide
CID 10515365
4-methoxy-N-(phenylcarbamothioyl)benzenecarbothioamide
CID 12778974
antimony(3+);tris(4-methoxybenzenecarbodithioate)
CID 102513737
4-chloro-N-[(4-methoxyphenyl)methyl]benzenecarbothioamide
CID 11022677
CID 12714057
CID 12714057
4-methoxybenzoic acid;hydrobromide
CID 172731707
4-butoxy-N-(4-methoxyphenyl)benzenecarbothioamide
CID 71385643
1-[(3,5-dimethoxyphenyl)methyl]-N-hydroxyindole-6-carbothioamide
CID 42647188
N-carbamothioyl-4-methoxybenzamide
CID 14007083
bis[(4-methoxybenzenecarbothioyl)sulfanyl]phosphanyl 4-methoxybenzenecarbodithioate
CID 101025841
1-methoxy-4-[(Z)-1-methoxyprop-1-enyl]benzene
CID 10329885
N-[(E)-(4-chlorophenyl)methylideneamino]-4-methoxybenzenecarbothioamide
CID 170856094

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-methoxybenzenecarbothioamide?
The IUPAC name of N-hydroxy-4-methoxybenzenecarbothioamide (CID 12637483) is N-hydroxy-4-methoxybenzenecarbothioamide.
What is the SMILES notation for N-hydroxy-4-methoxybenzenecarbothioamide?
The canonical SMILES for N-hydroxy-4-methoxybenzenecarbothioamide is COc1ccc(C(=S)NO)cc1.
What is the InChIKey of N-hydroxy-4-methoxybenzenecarbothioamide?
The InChIKey is FRYKHOXCKSACLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-11-7-4-2-6(3-5-7)8(12)9-10/h2-5,10H,1H3,(H,9,12).
What are the key properties of N-hydroxy-4-methoxybenzenecarbothioamide?
N-hydroxy-4-methoxybenzenecarbothioamide has a molecular weight of 183.23 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-methoxybenzenecarbothioamide is sourced from PubChem (CID 12637483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).