antimony(3+);bis(1,3-diazinane-2-thione);tribromide

C8H16Br3N4S2Sb — CID 71496176

IUPACantimony(3+);bis(1,3-diazinane-2-thione);tribromide
SMILESS=C1NCCCN1.S=C1NCCCN1.[Br-].[Br-].[Br-].[Sb+3]
InChIInChI=1S/2C4H8N2S.3BrH.Sb/c2*7-4-5-2-1-3-6-4;;;;/h2*1-3H2,(H2,5,6,7);3*1H;/q;;;;;+3/p-3
InChIKeyFAXAUTIRVXCVQM-UHFFFAOYSA-K
MW593.85 g/mol
LogP-9.66
Rot. Bonds

About antimony(3+);bis(1,3-diazinane-2-thione);tribromide

antimony(3+);bis(1,3-diazinane-2-thione);tribromide (PubChem CID 71496176) has the molecular formula C8H16Br3N4S2Sb and a molecular weight of 593.85 g/mol. Its IUPAC name is antimony(3+);bis(1,3-diazinane-2-thione);tribromide.

Molecular Properties

Compound Nameantimony(3+);bis(1,3-diazinane-2-thione);tribromide
PubChem CID71496176
Molecular FormulaC8H16Br3N4S2Sb
Molecular Weight593.85 g/mol
Exact Mass589.74
IUPAC Nameantimony(3+);bis(1,3-diazinane-2-thione);tribromide
SMILESS=C1NCCCN1.S=C1NCCCN1.[Br-].[Br-].[Br-].[Sb+3]
InChIInChI=1S/2C4H8N2S.3BrH.Sb/c2*7-4-5-2-1-3-6-4;;;;/h2*1-3H2,(H2,5,6,7);3*1H;/q;;;;;+3/p-3
InChIKeyFAXAUTIRVXCVQM-UHFFFAOYSA-K
XLogP-9.66
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.85
LogP ≤ 5-9.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1,4-diazepane-2-thione
CID 59512346
1,9,12,15-tetraoxa-4,6-diazacycloheptadecane-5-thione
CID 3123181
3,3-dimethyl-1,5-diazocane-2-thione
CID 143253901
1,3-diazetidine-2-thione
CID 15352372
1,3-diazinan-2-one;hydrochloride
CID 78169824
1,3,5-oxadiazinane-4-thione
CID 130016208
ethane;2-methylidene-1,3-diazinane
CID 91545361
(4S)-4-methyl-1,3-diazinane-2-thione
CID 87683022
dihydroxy(diphenyl)silane;imidazolidine-2-thione
CID 174739293
5,7-diazaspiro[2.5]octane-6-thione
CID 13050833
5-cyclopentyl-1,3,5-triazinane-2-thione
CID 2824035
magnesium;pyrrolidin-2-one;dibromide
CID 67853208

Frequently Asked Questions

What is the IUPAC name of antimony(3+);bis(1,3-diazinane-2-thione);tribromide?
The IUPAC name of antimony(3+);bis(1,3-diazinane-2-thione);tribromide (CID 71496176) is antimony(3+);bis(1,3-diazinane-2-thione);tribromide.
What is the SMILES notation for antimony(3+);bis(1,3-diazinane-2-thione);tribromide?
The canonical SMILES for antimony(3+);bis(1,3-diazinane-2-thione);tribromide is S=C1NCCCN1.S=C1NCCCN1.[Br-].[Br-].[Br-].[Sb+3].
What is the InChIKey of antimony(3+);bis(1,3-diazinane-2-thione);tribromide?
The InChIKey is FAXAUTIRVXCVQM-UHFFFAOYSA-K. The full InChI is InChI=1S/2C4H8N2S.3BrH.Sb/c2*7-4-5-2-1-3-6-4;;;;/h2*1-3H2,(H2,5,6,7);3*1H;/q;;;;;+3/p-3.
What are the key properties of antimony(3+);bis(1,3-diazinane-2-thione);tribromide?
antimony(3+);bis(1,3-diazinane-2-thione);tribromide has a molecular weight of 593.85 g/mol, XLogP of -9.66, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);bis(1,3-diazinane-2-thione);tribromide is sourced from PubChem (CID 71496176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).