(2,6-dimethyl-3-phenylsulfanylphenyl)mercury

C14H13HgS — CID 59905414

IUPAC(2,6-dimethyl-3-phenylsulfanylphenyl)mercury
SMILESCc1ccc(Sc2ccccc2)c(C)c1[Hg]
InChIInChI=1S/C14H13S.Hg/c1-11-8-9-14(12(2)10-11)15-13-6-4-3-5-7-13;/h3-9H,1-2H3;
InChIKeyZJCPOPXMOHGILD-UHFFFAOYSA-N
MW413.92 g/mol
LogP3.63
Rot. Bonds2

About (2,6-dimethyl-3-phenylsulfanylphenyl)mercury

(2,6-dimethyl-3-phenylsulfanylphenyl)mercury (PubChem CID 59905414) has the molecular formula C14H13HgS and a molecular weight of 413.92 g/mol. Its IUPAC name is (2,6-dimethyl-3-phenylsulfanylphenyl)mercury.

Molecular Properties

Compound Name(2,6-dimethyl-3-phenylsulfanylphenyl)mercury
PubChem CID59905414
Molecular FormulaC14H13HgS
Molecular Weight413.92 g/mol
Exact Mass415.04
IUPAC Name(2,6-dimethyl-3-phenylsulfanylphenyl)mercury
SMILESCc1ccc(Sc2ccccc2)c(C)c1[Hg]
InChIInChI=1S/C14H13S.Hg/c1-11-8-9-14(12(2)10-11)15-13-6-4-3-5-7-13;/h3-9H,1-2H3;
InChIKeyZJCPOPXMOHGILD-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.92
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-3-phenylsulfanylphenyl)mercury?
The IUPAC name of (2,6-dimethyl-3-phenylsulfanylphenyl)mercury (CID 59905414) is (2,6-dimethyl-3-phenylsulfanylphenyl)mercury.
What is the SMILES notation for (2,6-dimethyl-3-phenylsulfanylphenyl)mercury?
The canonical SMILES for (2,6-dimethyl-3-phenylsulfanylphenyl)mercury is Cc1ccc(Sc2ccccc2)c(C)c1[Hg].
What is the InChIKey of (2,6-dimethyl-3-phenylsulfanylphenyl)mercury?
The InChIKey is ZJCPOPXMOHGILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13S.Hg/c1-11-8-9-14(12(2)10-11)15-13-6-4-3-5-7-13;/h3-9H,1-2H3;.
What are the key properties of (2,6-dimethyl-3-phenylsulfanylphenyl)mercury?
(2,6-dimethyl-3-phenylsulfanylphenyl)mercury has a molecular weight of 413.92 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-3-phenylsulfanylphenyl)mercury is sourced from PubChem (CID 59905414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).