2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+)

C31H30Mo2N10O8S2 — CID 11979317

IUPAC2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+)
SMILESCOc1cc(/N=N/c2ccccc2)cc(/C=N/NC(N)=S)c1[O-].O=[Mo+2]=O.O=[Mo]=O.[CH2-]/[N+](=C\c1cc(/N=N/c2ccccc2)cc(OC)c1[O-])NC(N)=S
InChIInChI=1S/C16H17N5O2S.C15H15N5O2S.2Mo.4O/c1-21(20-16(17)24)10-11-8-13(9-14(23-2)15(11)22)19-18-12-6-4-3-5-7-12;1-22-13-8-12(19-18-11-5-3-2-4-6-11)7-10(14(13)21)9-17-20-15(16)23;;;;;;/h3-10,22H,1H2,2H3,(H3,17,20,24);2-9,21H,1H3,(H3,16,20,23);;;;;;/q;;;+2;;;;/p-2/b19-18+;17-9+,19-18+;;;;;;
InChIKeyFSKZUEUGBZPBJT-XEUJNARZSA-L
MW926.66 g/mol
LogP4.03
Rot. Bonds10

About 2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+)

2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+) (PubChem CID 11979317) has the molecular formula C31H30Mo2N10O8S2 and a molecular weight of 926.66 g/mol. Its IUPAC name is 2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+).

Molecular Properties

Compound Name2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+)
PubChem CID11979317
Molecular FormulaC31H30Mo2N10O8S2
Molecular Weight926.66 g/mol
Exact Mass929.98
IUPAC Name2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+)
SMILESCOc1cc(/N=N/c2ccccc2)cc(/C=N/NC(N)=S)c1[O-].O=[Mo+2]=O.O=[Mo]=O.[CH2-]/[N+](=C\c1cc(/N=N/c2ccccc2)cc(OC)c1[O-])NC(N)=S
InChIInChI=1S/C16H17N5O2S.C15H15N5O2S.2Mo.4O/c1-21(20-16(17)24)10-11-8-13(9-14(23-2)15(11)22)19-18-12-6-4-3-5-7-12;1-22-13-8-12(19-18-11-5-3-2-4-6-11)7-10(14(13)21)9-17-20-15(16)23;;;;;;/h3-10,22H,1H2,2H3,(H3,17,20,24);2-9,21H,1H3,(H3,16,20,23);;;;;;/q;;;+2;;;;/p-2/b19-18+;17-9+,19-18+;;;;;;
InChIKeyFSKZUEUGBZPBJT-XEUJNARZSA-L
XLogP4.03
TPSA273.77 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500926.66
LogP ≤ 54.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+)?
The IUPAC name of 2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+) (CID 11979317) is 2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+).
What is the SMILES notation for 2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+)?
The canonical SMILES for 2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+) is COc1cc(/N=N/c2ccccc2)cc(/C=N/NC(N)=S)c1[O-].O=[Mo+2]=O.O=[Mo]=O.[CH2-]/[N+](=C\c1cc(/N=N/c2ccccc2)cc(OC)c1[O-])NC(N)=S.
What is the InChIKey of 2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+)?
The InChIKey is FSKZUEUGBZPBJT-XEUJNARZSA-L. The full InChI is InChI=1S/C16H17N5O2S.C15H15N5O2S.2Mo.4O/c1-21(20-16(17)24)10-11-8-13(9-14(23-2)15(11)22)19-18-12-6-4-3-5-7-12;1-22-13-8-12(19-18-11-5-3-2-4-6-11)7-10(14(13)21)9-17-20-15(16)23;;;;;;/h3-10,22H,1H2,2H3,(H3,17,20,24);2-9,21H,1H3,(H3,16,20,23);;;;;;/q;;;+2;;;;/p-2/b19-18+;17-9+,19-18+;;;;;;.
What are the key properties of 2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+)?
2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+) has a molecular weight of 926.66 g/mol, XLogP of 4.03, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(carbamothioylamino)-methanidylazaniumylidene]methyl]-6-methoxy-4-phenyldiazenylphenolate;2-[(E)-(carbamothioylhydrazinylidene)methyl]-6-methoxy-4-phenyldiazenylphenolate;dioxomolybdenum;dioxomolybdenum(2+) is sourced from PubChem (CID 11979317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).