antimony(3+);tris(4-methoxybenzenecarbodithioate)

C24H21O3S6Sb — CID 102513737

IUPACantimony(3+);tris(4-methoxybenzenecarbodithioate)
SMILESCOc1ccc(C(=S)[S-])cc1.COc1ccc(C(=S)[S-])cc1.COc1ccc(C(=S)[S-])cc1.[Sb+3]
InChIInChI=1S/3C8H8OS2.Sb/c3*1-9-7-4-2-6(3-5-7)8(10)11;/h3*2-5H,1H3,(H,10,11);/q;;;+3/p-3
InChIKeyIQOUXTCGLANVSH-UHFFFAOYSA-K
MW671.59 g/mol
LogP5.37
Rot. Bonds6

About antimony(3+);tris(4-methoxybenzenecarbodithioate)

antimony(3+);tris(4-methoxybenzenecarbodithioate) (PubChem CID 102513737) has the molecular formula C24H21O3S6Sb and a molecular weight of 671.59 g/mol. Its IUPAC name is antimony(3+);tris(4-methoxybenzenecarbodithioate).

Molecular Properties

Compound Nameantimony(3+);tris(4-methoxybenzenecarbodithioate)
PubChem CID102513737
Molecular FormulaC24H21O3S6Sb
Molecular Weight671.59 g/mol
Exact Mass669.89
IUPAC Nameantimony(3+);tris(4-methoxybenzenecarbodithioate)
SMILESCOc1ccc(C(=S)[S-])cc1.COc1ccc(C(=S)[S-])cc1.COc1ccc(C(=S)[S-])cc1.[Sb+3]
InChIInChI=1S/3C8H8OS2.Sb/c3*1-9-7-4-2-6(3-5-7)8(10)11;/h3*2-5H,1H3,(H,10,11);/q;;;+3/p-3
InChIKeyIQOUXTCGLANVSH-UHFFFAOYSA-K
XLogP5.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.59
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

CID 102009257
CID 102009257
N-hydroxy-4-methoxybenzenecarbothioamide
CID 12637483
CID 12714057
CID 12714057
1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
bis[(4-methoxybenzenecarbothioyl)sulfanyl]phosphanyl 4-methoxybenzenecarbodithioate
CID 101025841
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
N'-hydroxy-4-methoxybenzenecarboximidamide
CID 5374066
1-(113C)methoxy-4-methylbenzene
CID 166176950
1-[[1-(4-methoxyphenyl)-2-(methylcarbamothioylhydrazinylidene)-2-(4-methylphenyl)ethylidene]amino]-3-methylthiourea
CID 160820655
2-(4-methoxyphenyl)-N,N-dimethyl-2-oxoethanethioamide
CID 15272504
methane;(4-methoxyphenyl)-(4-methylphenyl)methanone
CID 161368875
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324

Frequently Asked Questions

What is the IUPAC name of antimony(3+);tris(4-methoxybenzenecarbodithioate)?
The IUPAC name of antimony(3+);tris(4-methoxybenzenecarbodithioate) (CID 102513737) is antimony(3+);tris(4-methoxybenzenecarbodithioate).
What is the SMILES notation for antimony(3+);tris(4-methoxybenzenecarbodithioate)?
The canonical SMILES for antimony(3+);tris(4-methoxybenzenecarbodithioate) is COc1ccc(C(=S)[S-])cc1.COc1ccc(C(=S)[S-])cc1.COc1ccc(C(=S)[S-])cc1.[Sb+3].
What is the InChIKey of antimony(3+);tris(4-methoxybenzenecarbodithioate)?
The InChIKey is IQOUXTCGLANVSH-UHFFFAOYSA-K. The full InChI is InChI=1S/3C8H8OS2.Sb/c3*1-9-7-4-2-6(3-5-7)8(10)11;/h3*2-5H,1H3,(H,10,11);/q;;;+3/p-3.
What are the key properties of antimony(3+);tris(4-methoxybenzenecarbodithioate)?
antimony(3+);tris(4-methoxybenzenecarbodithioate) has a molecular weight of 671.59 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);tris(4-methoxybenzenecarbodithioate) is sourced from PubChem (CID 102513737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).