2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol

C20H24N2S2 — CID 23134946

IUPAC2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol
SMILESCC(C)/C=N/c1ccc(-c2ccc(/N=C/C(C)C)c(S)c2)cc1S
InChIInChI=1S/C20H24N2S2/c1-13(2)11-21-17-7-5-15(9-19(17)23)16-6-8-18(20(24)10-16)22-12-14(3)4/h5-14,23-24H,1-4H3/b21-11+,22-12+
InChIKeyVIKUDEHVFQHKFK-XHQRYOPUSA-N
MW356.56 g/mol
LogP6.65
Rot. Bonds5

About 2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol

2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol (PubChem CID 23134946) has the molecular formula C20H24N2S2 and a molecular weight of 356.56 g/mol. Its IUPAC name is 2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol.

Molecular Properties

Compound Name2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol
PubChem CID23134946
Molecular FormulaC20H24N2S2
Molecular Weight356.56 g/mol
Exact Mass356.14
IUPAC Name2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol
SMILESCC(C)/C=N/c1ccc(-c2ccc(/N=C/C(C)C)c(S)c2)cc1S
InChIInChI=1S/C20H24N2S2/c1-13(2)11-21-17-7-5-15(9-19(17)23)16-6-8-18(20(24)10-16)22-12-14(3)4/h5-14,23-24H,1-4H3/b21-11+,22-12+
InChIKeyVIKUDEHVFQHKFK-XHQRYOPUSA-N
XLogP6.65
TPSA24.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.56
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol?
The IUPAC name of 2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol (CID 23134946) is 2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol.
What is the SMILES notation for 2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol?
The canonical SMILES for 2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol is CC(C)/C=N/c1ccc(-c2ccc(/N=C/C(C)C)c(S)c2)cc1S.
What is the InChIKey of 2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol?
The InChIKey is VIKUDEHVFQHKFK-XHQRYOPUSA-N. The full InChI is InChI=1S/C20H24N2S2/c1-13(2)11-21-17-7-5-15(9-19(17)23)16-6-8-18(20(24)10-16)22-12-14(3)4/h5-14,23-24H,1-4H3/b21-11+,22-12+.
What are the key properties of 2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol?
2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol has a molecular weight of 356.56 g/mol, XLogP of 6.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropylideneamino)-5-[4-(2-methylpropylideneamino)-3-sulfanylphenyl]benzenethiol is sourced from PubChem (CID 23134946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).