3-(2,5-dichlorophenyl)sulfanylbutanimidamide

C10H12Cl2N2S — CID 60912657

IUPAC3-(2,5-dichlorophenyl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)CC(C)Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2S/c1-6(4-10(13)14)15-9-5-7(11)2-3-8(9)12/h2-3,5-6H,4H2,1H3,(H3,13,14)
InChIKeyHKRNFAUBSJTADT-UHFFFAOYSA-N
MW263.19 g/mol
LogP3.80
Rot. Bonds4

About 3-(2,5-dichlorophenyl)sulfanylbutanimidamide

3-(2,5-dichlorophenyl)sulfanylbutanimidamide (PubChem CID 60912657) has the molecular formula C10H12Cl2N2S and a molecular weight of 263.19 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)sulfanylbutanimidamide.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)sulfanylbutanimidamide
PubChem CID60912657
Molecular FormulaC10H12Cl2N2S
Molecular Weight263.19 g/mol
Exact Mass262.01
IUPAC Name3-(2,5-dichlorophenyl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)CC(C)Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2S/c1-6(4-10(13)14)15-9-5-7(11)2-3-8(9)12/h2-3,5-6H,4H2,1H3,(H3,13,14)
InChIKeyHKRNFAUBSJTADT-UHFFFAOYSA-N
XLogP3.80
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)sulfanylbutanimidamide?
The IUPAC name of 3-(2,5-dichlorophenyl)sulfanylbutanimidamide (CID 60912657) is 3-(2,5-dichlorophenyl)sulfanylbutanimidamide.
What is the SMILES notation for 3-(2,5-dichlorophenyl)sulfanylbutanimidamide?
The canonical SMILES for 3-(2,5-dichlorophenyl)sulfanylbutanimidamide is [H]/N=C(\N)CC(C)Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenyl)sulfanylbutanimidamide?
The InChIKey is HKRNFAUBSJTADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2S/c1-6(4-10(13)14)15-9-5-7(11)2-3-8(9)12/h2-3,5-6H,4H2,1H3,(H3,13,14).
What are the key properties of 3-(2,5-dichlorophenyl)sulfanylbutanimidamide?
3-(2,5-dichlorophenyl)sulfanylbutanimidamide has a molecular weight of 263.19 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)sulfanylbutanimidamide is sourced from PubChem (CID 60912657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).