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

C10H12N2OS2 — CID 135545743

IUPACmethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate
SMILESCSC(=S)N(C)/N=C/c1ccccc1O
InChIInChI=1S/C10H12N2OS2/c1-12(10(14)15-2)11-7-8-5-3-4-6-9(8)13/h3-7,13H,1-2H3/b11-7+
InChIKeyXWFNDCUINGCROM-YRNVUSSQSA-N
MW240.35 g/mol
LogP2.31
Rot. Bonds2

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

methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate (PubChem CID 135545743) has the molecular formula C10H12N2OS2 and a molecular weight of 240.35 g/mol. Its IUPAC name is methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate.

Molecular Properties

Compound Namemethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate
PubChem CID135545743
Molecular FormulaC10H12N2OS2
Molecular Weight240.35 g/mol
Exact Mass240.04
IUPAC Namemethyl N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate
SMILESCSC(=S)N(C)/N=C/c1ccccc1O
InChIInChI=1S/C10H12N2OS2/c1-12(10(14)15-2)11-7-8-5-3-4-6-9(8)13/h3-7,13H,1-2H3/b11-7+
InChIKeyXWFNDCUINGCROM-YRNVUSSQSA-N
XLogP2.31
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
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
Salicylaldehyde hydrazone
CID 135484217
1,3,4-Thiadiazole-2(3H)-thione, 5-[[(2-hydroxyphenyl)methylene]amino]-
CID 135688242
N'-(2-hydroxybenzylidene)-N-methylbenzenecarbothiohydrazide
CID 135446725
o-Hydroxybenzylideneaminorhodanine
CID 97410
Rhodanine, 3-salicylideneamino-
CID 135473713
Benzaldehyde, p-hydroxy-, dimethylhydrazone
CID 135509593
Methyl 2-(2-hydroxybenzylidene)hydrazinecarbodithioate
CID 135545742
2-Hydroxybenzaldehyde thiosemicarbazone
CID 727917
1-[(E)-(2-hydroxyphenyl)methylideneamino]-3-methylthiourea
CID 135533447
(E)-methyl 2-(2-hydroxy-5-methylbenzylidene)hydrazinecarbimidothioate
CID 135515674
2565-54-0
CID 278428

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate?
The IUPAC name of methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate (CID 135545743) is methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate.
What is the SMILES notation for methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate?
The canonical SMILES for methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate is CSC(=S)N(C)/N=C/c1ccccc1O.
What is the InChIKey of methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate?
The InChIKey is XWFNDCUINGCROM-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H12N2OS2/c1-12(10(14)15-2)11-7-8-5-3-4-6-9(8)13/h3-7,13H,1-2H3/b11-7+.
What are the key properties of methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate?
methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate has a molecular weight of 240.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-(2-hydroxyphenyl)methylideneamino]-N-methylcarbamodithioate is sourced from PubChem (CID 135545743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).