[2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol

C9H7ClN2OS2 — CID 583289

IUPAC[2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol
SMILESOCc1ccccc1/N=c1/ssnc1Cl
InChIInChI=1S/C9H7ClN2OS2/c10-8-9(14-15-12-8)11-7-4-2-1-3-6(7)5-13/h1-4,13H,5H2/b11-9+
InChIKeyCEBUEZODNIPSKX-PKNBQFBNSA-N
MW258.75 g/mol
LogP2.58
Rot. Bonds2

About [2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol

[2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol (PubChem CID 583289) has the molecular formula C9H7ClN2OS2 and a molecular weight of 258.75 g/mol. Its IUPAC name is [2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol.

Molecular Properties

Compound Name[2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol
PubChem CID583289
Molecular FormulaC9H7ClN2OS2
Molecular Weight258.75 g/mol
Exact Mass257.97
IUPAC Name[2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol
SMILESOCc1ccccc1/N=c1/ssnc1Cl
InChIInChI=1S/C9H7ClN2OS2/c10-8-9(14-15-12-8)11-7-4-2-1-3-6(7)5-13/h1-4,13H,5H2/b11-9+
InChIKeyCEBUEZODNIPSKX-PKNBQFBNSA-N
XLogP2.58
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol 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

N-[2-(hydroxymethyl)phenyl]-2,2,2-trifluoroacetimidoyl chloride
CID 134860097
2,2-difluoro-N-[2-(hydroxymethyl)phenyl]ethanimidoyl chloride
CID 139228936
2,2,3,3,4,4,4-heptafluoro-N-[2-(hydroxymethyl)phenyl]butanimidoyl chloride
CID 139228937
2,2,2-trifluoro-N-[5-fluoro-2-(hydroxymethyl)phenyl]ethanimidoyl chloride
CID 139228939
2,2,2-trifluoro-N-[2-(1-hydroxyethyl)phenyl]ethanimidoyl chloride
CID 139228952
[4-chloro-2-[(Z)-(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol
CID 483895
[2-(Propan-2-ylideneamino)phenyl]methanol
CID 135040485
2-(Hydroxymethyl)benzenediazonium
CID 12824647
2-[2-(Hydroxymethyl)phenyl]guanidine
CID 23103995
Isocyanato-(2-isocyanatophenyl)methanol
CID 87204791
(2-Isothiocyanatophenyl)methanol
CID 87539708
(2-Isocyano-5-isothiocyanatophenyl)methanol
CID 88856205

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol?
The IUPAC name of [2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol (CID 583289) is [2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol.
What is the SMILES notation for [2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol?
The canonical SMILES for [2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol is OCc1ccccc1/N=c1/ssnc1Cl.
What is the InChIKey of [2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol?
The InChIKey is CEBUEZODNIPSKX-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H7ClN2OS2/c10-8-9(14-15-12-8)11-7-4-2-1-3-6(7)5-13/h1-4,13H,5H2/b11-9+.
What are the key properties of [2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol?
[2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol has a molecular weight of 258.75 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorodithiazol-5-ylidene)amino]phenyl]methanol is sourced from PubChem (CID 583289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).