methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate

C9H10N2OS2 — CID 135545742

IUPACmethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate
SMILESCSC(=S)N/N=C/c1ccccc1O
InChIInChI=1S/C9H10N2OS2/c1-14-9(13)11-10-6-7-4-2-3-5-8(7)12/h2-6,12H,1H3,(H,11,13)/b10-6+
InChIKeySATLYQNFXURMCO-UXBLZVDNSA-N
MW226.33 g/mol
LogP1.96
Rot. Bonds2

About methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate

methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate (PubChem CID 135545742) has the molecular formula C9H10N2OS2 and a molecular weight of 226.33 g/mol. Its IUPAC name is methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate.

Molecular Properties

Compound Namemethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate
PubChem CID135545742
Molecular FormulaC9H10N2OS2
Molecular Weight226.33 g/mol
Exact Mass226.02
IUPAC Namemethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate
SMILESCSC(=S)N/N=C/c1ccccc1O
InChIInChI=1S/C9H10N2OS2/c1-14-9(13)11-10-6-7-4-2-3-5-8(7)12/h2-6,12H,1H3,(H,11,13)/b10-6+
InChIKeySATLYQNFXURMCO-UXBLZVDNSA-N
XLogP1.96
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

Salicylaldehyde Thiosemicarbazone
CID 135423926
2,4-Dihydroxybenzaldehyde thiosemicarbazone
CID 135480747
2-Hydroxybenzaldehyde semicarbazone
CID 135466838
4-Hydroxybenzaldehyde thiosemicarbazone
CID 135408731
[[(E)-(5-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea
CID 135455078
[[(E)-[5-[(carbamothioylhydrazinylidene)methyl]-3-methyl-6-oxo-1-cyclohexa-2,4-dienylidene]methyl]amino]thiourea
CID 135549494
Acetic (2-hydroxybenzylidene)hydrazide
CID 135442996
Salicylaldehyde hydrazone
CID 135484217
1,3,4-Thiadiazole-2(3H)-thione, 5-[[(2-hydroxyphenyl)methylene]amino]-
CID 135688242
Bissalicylidene thiocarbohydrazide
CID 3446799
[(E)-(3-hydroxyphenyl)methylideneamino]thiourea
CID 6875532
5-[4-Hydroxyphenyl]-1,3,4-thiadiazole-2(3H)-thione
CID 135514777

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate?
The IUPAC name of methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate (CID 135545742) is methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate.
What is the SMILES notation for methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate?
The canonical SMILES for methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate is CSC(=S)N/N=C/c1ccccc1O.
What is the InChIKey of methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate?
The InChIKey is SATLYQNFXURMCO-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H10N2OS2/c1-14-9(13)11-10-6-7-4-2-3-5-8(7)12/h2-6,12H,1H3,(H,11,13)/b10-6+.
What are the key properties of methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate?
methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate has a molecular weight of 226.33 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]carbamodithioate is sourced from PubChem (CID 135545742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).