(NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride

C10H7Cl2N3OS2 — CID 10936096

IUPAC(NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride
SMILESCOc1ccccc1/C(Cl)=N/N=c1\ssnc1Cl
InChIInChI=1S/C10H7Cl2N3OS2/c1-16-7-5-3-2-4-6(7)8(11)13-14-10-9(12)15-18-17-10/h2-5H,1H3/b13-8-,14-10-
InChIKeyCLMHKIBXAJWLDM-GSPAGQKZSA-N
MW320.23 g/mol
LogP3.37
Rot. Bonds3

About (NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride

(NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride (PubChem CID 10936096) has the molecular formula C10H7Cl2N3OS2 and a molecular weight of 320.23 g/mol. Its IUPAC name is (NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride.

Molecular Properties

Compound Name(NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride
PubChem CID10936096
Molecular FormulaC10H7Cl2N3OS2
Molecular Weight320.23 g/mol
Exact Mass318.94
IUPAC Name(NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride
SMILESCOc1ccccc1/C(Cl)=N/N=c1\ssnc1Cl
InChIInChI=1S/C10H7Cl2N3OS2/c1-16-7-5-3-2-4-6(7)8(11)13-14-10-9(12)15-18-17-10/h2-5H,1H3/b13-8-,14-10-
InChIKeyCLMHKIBXAJWLDM-GSPAGQKZSA-N
XLogP3.37
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-ethynyl-2-methoxybenzenecarboximidoyl chloride
CID 166806658
(E)-4-chloro-N-[(E)-(4-chlorodithiazol-5-ylidene)amino]dithiazol-5-imine
CID 86278817
1-[(Z)-1,2-dichloroprop-1-enyl]-2-methoxybenzene
CID 118255169
(1Z)-N-hydroxy-2,3-dimethoxybenzenecarboximidoyl chloride
CID 106892044
1-methoxy-2-[1-[1-(2-methoxyphenyl)ethenoxy]ethenyl]benzene
CID 69260601
2-methoxybenzoyl iodide
CID 139677083
4-chloro-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]dithiazol-5-imine
CID 2769042
4-chloro-N-(4-chloro-2-methylphenyl)dithiazol-5-imine
CID 1471255
N-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine
CID 86656504
4-chloro-N-(2,6-dichlorophenyl)dithiazol-5-imine
CID 10709154
2-chloro-2-(2-methoxyphenyl)ethenone
CID 87462542
1-[(E)-1,2-bis(2-methoxyphenyl)-2-(2-methylphenyl)ethenyl]-2-methylbenzene
CID 102177255

Frequently Asked Questions

What is the IUPAC name of (NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride?
The IUPAC name of (NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride (CID 10936096) is (NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride.
What is the SMILES notation for (NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride?
The canonical SMILES for (NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride is COc1ccccc1/C(Cl)=N/N=c1\ssnc1Cl.
What is the InChIKey of (NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride?
The InChIKey is CLMHKIBXAJWLDM-GSPAGQKZSA-N. The full InChI is InChI=1S/C10H7Cl2N3OS2/c1-16-7-5-3-2-4-6(7)8(11)13-14-10-9(12)15-18-17-10/h2-5H,1H3/b13-8-,14-10-.
What are the key properties of (NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride?
(NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride has a molecular weight of 320.23 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ,1Z)-N-(4-chlorodithiazol-5-ylidene)-2-methoxybenzenecarbohydrazonoyl chloride is sourced from PubChem (CID 10936096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).