silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate

C31H29AgO4S — CID 10722368

IUPACsilver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate
SMILESCOc1ccc(/C=C/Cc2c(OCc3ccccc3)ccc(OCc3ccccc3)c2[S-])cc1OC.[Ag+]
InChIInChI=1S/C31H30O4S.Ag/c1-32-28-17-16-23(20-30(28)33-2)14-9-15-26-27(34-21-24-10-5-3-6-11-24)18-19-29(31(26)36)35-22-25-12-7-4-8-13-25;/h3-14,16-20,36H,15,21-22H2,1-2H3;/q;+1/p-1/b14-9+;
InChIKeyHAYPNFNJVSHWMO-KYIGKLDSSA-M
MW605.50 g/mol
LogP7.02
Rot. Bonds11

About silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate

silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate (PubChem CID 10722368) has the molecular formula C31H29AgO4S and a molecular weight of 605.50 g/mol. Its IUPAC name is silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate.

Molecular Properties

Compound Namesilver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate
PubChem CID10722368
Molecular FormulaC31H29AgO4S
Molecular Weight605.50 g/mol
Exact Mass604.08
IUPAC Namesilver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate
SMILESCOc1ccc(/C=C/Cc2c(OCc3ccccc3)ccc(OCc3ccccc3)c2[S-])cc1OC.[Ag+]
InChIInChI=1S/C31H30O4S.Ag/c1-32-28-17-16-23(20-30(28)33-2)14-9-15-26-27(34-21-24-10-5-3-6-11-24)18-19-29(31(26)36)35-22-25-12-7-4-8-13-25;/h3-14,16-20,36H,15,21-22H2,1-2H3;/q;+1/p-1/b14-9+;
InChIKeyHAYPNFNJVSHWMO-KYIGKLDSSA-M
XLogP7.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.50
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
2-methoxy-4-(2-methoxyethenyl)-1-phenylmethoxybenzene
CID 54126247
S-[3-(4-methoxy-3-phenylmethoxyphenyl)prop-2-enyl] ethanethioate
CID 169458371
3-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
CID 141466658
N-[4-(3-methoxy-4-phenylmethoxyphenyl)but-3-en-2-ylidene]hydroxylamine
CID 739210
1-[3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enyl]-1,2,4-triazole
CID 54462295
1-[(E)-2-[3,4-bis(phenylmethoxy)phenyl]ethenyl]-3,5-dimethoxybenzene
CID 101267905
(E)-4-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbut-3-en-2-one
CID 22246671
2-[4-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]pyridin-1-ium-1-yl]ethanamine
CID 23757866
2-[(E)-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole
CID 9037847
2-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-4-methyl-1,3-thiazole
CID 9037879

Frequently Asked Questions

What is the IUPAC name of silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate?
The IUPAC name of silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate (CID 10722368) is silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate.
What is the SMILES notation for silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate?
The canonical SMILES for silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate is COc1ccc(/C=C/Cc2c(OCc3ccccc3)ccc(OCc3ccccc3)c2[S-])cc1OC.[Ag+].
What is the InChIKey of silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate?
The InChIKey is HAYPNFNJVSHWMO-KYIGKLDSSA-M. The full InChI is InChI=1S/C31H30O4S.Ag/c1-32-28-17-16-23(20-30(28)33-2)14-9-15-26-27(34-21-24-10-5-3-6-11-24)18-19-29(31(26)36)35-22-25-12-7-4-8-13-25;/h3-14,16-20,36H,15,21-22H2,1-2H3;/q;+1/p-1/b14-9+;.
What are the key properties of silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate?
silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate has a molecular weight of 605.50 g/mol, XLogP of 7.02, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for silver 2-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enyl]-3,6-bis(phenylmethoxy)benzenethiolate is sourced from PubChem (CID 10722368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).