2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide

C10H15N3OS — CID 83016164

IUPAC2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide
SMILESCOc1ccc(C(N)=S)c(NN(C)C)c1
InChIInChI=1S/C10H15N3OS/c1-13(2)12-9-6-7(14-3)4-5-8(9)10(11)15/h4-6,12H,1-3H3,(H2,11,15)
InChIKeyLPHWCFYTPGURDC-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.22
Rot. Bonds4

About 2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide

2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide (PubChem CID 83016164) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide.

Molecular Properties

Compound Name2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide
PubChem CID83016164
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide
SMILESCOc1ccc(C(N)=S)c(NN(C)C)c1
InChIInChI=1S/C10H15N3OS/c1-13(2)12-9-6-7(14-3)4-5-8(9)10(11)15/h4-6,12H,1-3H3,(H2,11,15)
InChIKeyLPHWCFYTPGURDC-UHFFFAOYSA-N
XLogP1.22
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(2,2-dimethylhydrazinyl)-4-methoxybenzoic acid
CID 83025083
4-chloro-2-(2,2-dimethylhydrazinyl)benzenecarbothioamide
CID 83016390
4-methoxy-2-(4-methylanilino)benzenecarbothioamide
CID 81306668
2-(3,5-dichloroanilino)-4-methoxybenzenecarbothioamide
CID 81306064
4-methoxy-2-(pentylamino)benzenecarbothioamide
CID 81305642
4-methoxy-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]benzenecarbothioamide
CID 81305583
4-methoxy-2-(pentan-2-ylamino)benzenecarbothioamide
CID 81306230
4-methoxy-2-(2-methylsulfanylanilino)benzenecarbothioamide
CID 107644924
2-(2-ethylanilino)-4-methoxybenzenecarbothioamide
CID 81306826
2-(3-bromoanilino)-4-methoxybenzenecarbothioamide
CID 81306666
4-methoxy-2-(2-propan-2-yloxyethylamino)benzenecarbothioamide
CID 104761774
N-tert-butyl-2-(2-carbamothioyl-5-methoxyanilino)acetamide
CID 115356340

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide?
The IUPAC name of 2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide (CID 83016164) is 2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide.
What is the SMILES notation for 2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide?
The canonical SMILES for 2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide is COc1ccc(C(N)=S)c(NN(C)C)c1.
What is the InChIKey of 2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide?
The InChIKey is LPHWCFYTPGURDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-13(2)12-9-6-7(14-3)4-5-8(9)10(11)15/h4-6,12H,1-3H3,(H2,11,15).
What are the key properties of 2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide?
2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide has a molecular weight of 225.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylhydrazinyl)-4-methoxybenzenecarbothioamide is sourced from PubChem (CID 83016164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).