[(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium

C10H8Br2N4S2+2 — CID 145276323

IUPAC[(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium
SMILES[H]/N=c1\c(Br)cc2/c(=N/[SH2+])c(=[NH2+])c(Br)cc=2\c1=N\S
InChIInChI=1S/C10H6Br2N4S2/c11-5-1-3-4(10(16-18)7(5)13)2-6(12)8(14)9(3)15-17/h1-2,13-14,17-18H/p+2/b13-7+,14-8?,15-9-,16-10-
InChIKeyXQWFBKDKSHYBKW-XEAREFDBSA-P
MW408.14 g/mol
LogP-1.48
Rot. Bonds

About [(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium

[(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium (PubChem CID 145276323) has the molecular formula C10H8Br2N4S2+2 and a molecular weight of 408.14 g/mol. Its IUPAC name is [(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium.

Molecular Properties

Compound Name[(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium
PubChem CID145276323
Molecular FormulaC10H8Br2N4S2+2
Molecular Weight408.14 g/mol
Exact Mass405.85
IUPAC Name[(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium
SMILES[H]/N=c1\c(Br)cc2/c(=N/[SH2+])c(=[NH2+])c(Br)cc=2\c1=N\S
InChIInChI=1S/C10H6Br2N4S2/c11-5-1-3-4(10(16-18)7(5)13)2-6(12)8(14)9(3)15-17/h1-2,13-14,17-18H/p+2/b13-7+,14-8?,15-9-,16-10-
InChIKeyXQWFBKDKSHYBKW-XEAREFDBSA-P
XLogP-1.48
TPSA74.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.14
LogP ≤ 5-1.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze [(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium 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

CID 89416404
CID 89416404
CID 145276322
CID 145276322
CID 164103681
CID 164103681

Frequently Asked Questions

What is the IUPAC name of [(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium?
The IUPAC name of [(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium (CID 145276323) is [(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium.
What is the SMILES notation for [(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium?
The canonical SMILES for [(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium is [H]/N=c1\c(Br)cc2/c(=N/[SH2+])c(=[NH2+])c(Br)cc=2\c1=N\S.
What is the InChIKey of [(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium?
The InChIKey is XQWFBKDKSHYBKW-XEAREFDBSA-P. The full InChI is InChI=1S/C10H6Br2N4S2/c11-5-1-3-4(10(16-18)7(5)13)2-6(12)8(14)9(3)15-17/h1-2,13-14,17-18H/p+2/b13-7+,14-8?,15-9-,16-10-.
What are the key properties of [(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium?
[(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium has a molecular weight of 408.14 g/mol, XLogP of -1.48, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,5Z)-3,7-dibromo-6-imino-1-sulfaniumylimino-5-sulfanyliminonaphthalen-2-ylidene]azanium is sourced from PubChem (CID 145276323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).