3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide

C12H9Cl3N2OS2 — CID 54479285

IUPAC3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(/N=c2/ssc(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl3N2OS2/c1-17(2)12(18)6-3-4-8(7(13)5-6)16-11-9(14)10(15)19-20-11/h3-5H,1-2H3/b16-11+
InChIKeyXNVSHQKIDAUQSB-LFIBNONCSA-N
MW367.71 g/mol
LogP4.70
Rot. Bonds2

About 3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide

3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide (PubChem CID 54479285) has the molecular formula C12H9Cl3N2OS2 and a molecular weight of 367.71 g/mol. Its IUPAC name is 3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide
PubChem CID54479285
Molecular FormulaC12H9Cl3N2OS2
Molecular Weight367.71 g/mol
Exact Mass365.92
IUPAC Name3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(/N=c2/ssc(Cl)c2Cl)c(Cl)c1
InChIInChI=1S/C12H9Cl3N2OS2/c1-17(2)12(18)6-3-4-8(7(13)5-6)16-11-9(14)10(15)19-20-11/h3-5H,1-2H3/b16-11+
InChIKeyXNVSHQKIDAUQSB-LFIBNONCSA-N
XLogP4.70
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.71
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide (CID 54479285) is 3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(/N=c2/ssc(Cl)c2Cl)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide?
The InChIKey is XNVSHQKIDAUQSB-LFIBNONCSA-N. The full InChI is InChI=1S/C12H9Cl3N2OS2/c1-17(2)12(18)6-3-4-8(7(13)5-6)16-11-9(14)10(15)19-20-11/h3-5H,1-2H3/b16-11+.
What are the key properties of 3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide?
3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide has a molecular weight of 367.71 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4,5-dichlorodithiol-3-ylidene)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 54479285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).