[(4-hydroxyphenyl)methylideneamino]carbamodithioic acid

C8H8N2OS2 — CID 716613

IUPAC[(4-hydroxyphenyl)methylideneamino]carbamodithioic acid
SMILESOc1ccc(C=NNC(=S)S)cc1
InChIInChI=1S/C8H8N2OS2/c11-7-3-1-6(2-4-7)5-9-10-8(12)13/h1-5,11H,(H2,10,12,13)
InChIKeyPGAHOWAKWYJPDV-UHFFFAOYSA-N
MW212.30 g/mol
LogP1.53
Rot. Bonds2

About [(4-hydroxyphenyl)methylideneamino]carbamodithioic acid

[(4-hydroxyphenyl)methylideneamino]carbamodithioic acid (PubChem CID 716613) has the molecular formula C8H8N2OS2 and a molecular weight of 212.30 g/mol. Its IUPAC name is [(4-hydroxyphenyl)methylideneamino]carbamodithioic acid.

Molecular Properties

Compound Name[(4-hydroxyphenyl)methylideneamino]carbamodithioic acid
PubChem CID716613
Molecular FormulaC8H8N2OS2
Molecular Weight212.30 g/mol
Exact Mass212.01
IUPAC Name[(4-hydroxyphenyl)methylideneamino]carbamodithioic acid
SMILESOc1ccc(C=NNC(=S)S)cc1
InChIInChI=1S/C8H8N2OS2/c11-7-3-1-6(2-4-7)5-9-10-8(12)13/h1-5,11H,(H2,10,12,13)
InChIKeyPGAHOWAKWYJPDV-UHFFFAOYSA-N
XLogP1.53
TPSA44.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [(4-hydroxyphenyl)methylideneamino]carbamodithioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea
CID 135408538
1-tert-butyl-3-[(4-hydroxyphenyl)methylideneamino]thiourea
CID 2725308
1-[(4-hydroxyphenyl)methylideneamino]-3-(4-methylphenyl)thiourea
CID 916423
N,N'-bis[(Z)-(4-hydroxyphenyl)methylideneamino]butanediamide
CID 136704221
N-[4-[(E)-[(4-hydroxyphenyl)carbamothioylhydrazinylidene]methyl]phenyl]acetamide
CID 143848723
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135821314
2-chloro-N-[(Z)-(4-hydroxyphenyl)methylideneamino]acetamide
CID 136884201
1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-methylpiperazin-1-yl)thiourea
CID 170856482
4-hydroxy-N-[(Z)-(4-hydroxyphenyl)methylideneamino]butanamide
CID 136668789
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
1-[(E)-(4-hydroxyphenyl)methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 135784660

Frequently Asked Questions

What is the IUPAC name of [(4-hydroxyphenyl)methylideneamino]carbamodithioic acid?
The IUPAC name of [(4-hydroxyphenyl)methylideneamino]carbamodithioic acid (CID 716613) is [(4-hydroxyphenyl)methylideneamino]carbamodithioic acid.
What is the SMILES notation for [(4-hydroxyphenyl)methylideneamino]carbamodithioic acid?
The canonical SMILES for [(4-hydroxyphenyl)methylideneamino]carbamodithioic acid is Oc1ccc(C=NNC(=S)S)cc1.
What is the InChIKey of [(4-hydroxyphenyl)methylideneamino]carbamodithioic acid?
The InChIKey is PGAHOWAKWYJPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS2/c11-7-3-1-6(2-4-7)5-9-10-8(12)13/h1-5,11H,(H2,10,12,13).
What are the key properties of [(4-hydroxyphenyl)methylideneamino]carbamodithioic acid?
[(4-hydroxyphenyl)methylideneamino]carbamodithioic acid has a molecular weight of 212.30 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-hydroxyphenyl)methylideneamino]carbamodithioic acid is sourced from PubChem (CID 716613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).