3-phenylsulfanylbutanimidamide

C10H14N2S — CID 60915236

IUPAC3-phenylsulfanylbutanimidamide
SMILES[H]/N=C(\N)CC(C)Sc1ccccc1
InChIInChI=1S/C10H14N2S/c1-8(7-10(11)12)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H3,11,12)
InChIKeyMICNLMXECXTQDE-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.49
Rot. Bonds4

About 3-phenylsulfanylbutanimidamide

3-phenylsulfanylbutanimidamide (PubChem CID 60915236) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 3-phenylsulfanylbutanimidamide.

Molecular Properties

Compound Name3-phenylsulfanylbutanimidamide
PubChem CID60915236
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name3-phenylsulfanylbutanimidamide
SMILES[H]/N=C(\N)CC(C)Sc1ccccc1
InChIInChI=1S/C10H14N2S/c1-8(7-10(11)12)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H3,11,12)
InChIKeyMICNLMXECXTQDE-UHFFFAOYSA-N
XLogP2.49
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.49
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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Related Compounds

3-(4-methoxyphenyl)sulfanylbutanimidamide
CID 60913001
3-(2-fluorophenyl)sulfanylbutanimidamide
CID 60912658
3-benzylsulfanylbutanimidamide
CID 60915407
3-(2-methoxyphenyl)sulfanylbutanimidamide
CID 61291684
3-phenylbutanimidamide;hydrochloride
CID 69158161
3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide
CID 60913000
3-(2,5-dichlorophenyl)sulfanylbutanimidamide
CID 60912657
5-phenylsulfanylhexan-3-one
CID 11275800
3-phenylsulfanylbutanehydrazide
CID 63582257
3-phenoxybutanimidamide
CID 114995804
3-(2-methylpropylsulfanyl)-3-phenylpropanimidamide
CID 62779114
3-(1,3-thiazol-2-ylsulfanyl)butanimidamide
CID 61219315

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanylbutanimidamide?
The IUPAC name of 3-phenylsulfanylbutanimidamide (CID 60915236) is 3-phenylsulfanylbutanimidamide.
What is the SMILES notation for 3-phenylsulfanylbutanimidamide?
The canonical SMILES for 3-phenylsulfanylbutanimidamide is [H]/N=C(\N)CC(C)Sc1ccccc1.
What is the InChIKey of 3-phenylsulfanylbutanimidamide?
The InChIKey is MICNLMXECXTQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-8(7-10(11)12)13-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H3,11,12).
What are the key properties of 3-phenylsulfanylbutanimidamide?
3-phenylsulfanylbutanimidamide has a molecular weight of 194.30 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanylbutanimidamide is sourced from PubChem (CID 60915236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).