4-butan-2-ylsulfanylbutanimidamide

C8H18N2S — CID 43188607

IUPAC4-butan-2-ylsulfanylbutanimidamide
SMILES[H]/N=C(\N)CCCSC(C)CC
InChIInChI=1S/C8H18N2S/c1-3-7(2)11-6-4-5-8(9)10/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyZNSCLUGWZWDVQC-UHFFFAOYSA-N
MW174.31 g/mol
LogP2.23
Rot. Bonds6

About 4-butan-2-ylsulfanylbutanimidamide

4-butan-2-ylsulfanylbutanimidamide (PubChem CID 43188607) has the molecular formula C8H18N2S and a molecular weight of 174.31 g/mol. Its IUPAC name is 4-butan-2-ylsulfanylbutanimidamide.

Molecular Properties

Compound Name4-butan-2-ylsulfanylbutanimidamide
PubChem CID43188607
Molecular FormulaC8H18N2S
Molecular Weight174.31 g/mol
Exact Mass174.12
IUPAC Name4-butan-2-ylsulfanylbutanimidamide
SMILES[H]/N=C(\N)CCCSC(C)CC
InChIInChI=1S/C8H18N2S/c1-3-7(2)11-6-4-5-8(9)10/h7H,3-6H2,1-2H3,(H3,9,10)
InChIKeyZNSCLUGWZWDVQC-UHFFFAOYSA-N
XLogP2.23
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-butan-2-ylsulfanylbutanimidamide?
The IUPAC name of 4-butan-2-ylsulfanylbutanimidamide (CID 43188607) is 4-butan-2-ylsulfanylbutanimidamide.
What is the SMILES notation for 4-butan-2-ylsulfanylbutanimidamide?
The canonical SMILES for 4-butan-2-ylsulfanylbutanimidamide is [H]/N=C(\N)CCCSC(C)CC.
What is the InChIKey of 4-butan-2-ylsulfanylbutanimidamide?
The InChIKey is ZNSCLUGWZWDVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2S/c1-3-7(2)11-6-4-5-8(9)10/h7H,3-6H2,1-2H3,(H3,9,10).
What are the key properties of 4-butan-2-ylsulfanylbutanimidamide?
4-butan-2-ylsulfanylbutanimidamide has a molecular weight of 174.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanylbutanimidamide is sourced from PubChem (CID 43188607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).