hydroxy N-phenylpentanimidothioate

C11H15NOS — CID 102351744

IUPAChydroxy N-phenylpentanimidothioate
SMILESCCCC/C(=N/c1ccccc1)SO
InChIInChI=1S/C11H15NOS/c1-2-3-9-11(14-13)12-10-7-5-4-6-8-10/h4-8,13H,2-3,9H2,1H3/b12-11-
InChIKeyUMXQENOERCHBAS-QXMHVHEDSA-N
MW209.31 g/mol
LogP4.11
Rot. Bonds4

About hydroxy N-phenylpentanimidothioate

hydroxy N-phenylpentanimidothioate (PubChem CID 102351744) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is hydroxy N-phenylpentanimidothioate.

Molecular Properties

Compound Namehydroxy N-phenylpentanimidothioate
PubChem CID102351744
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC Namehydroxy N-phenylpentanimidothioate
SMILESCCCC/C(=N/c1ccccc1)SO
InChIInChI=1S/C11H15NOS/c1-2-3-9-11(14-13)12-10-7-5-4-6-8-10/h4-8,13H,2-3,9H2,1H3/b12-11-
InChIKeyUMXQENOERCHBAS-QXMHVHEDSA-N
XLogP4.11
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N,6-N-diphenylpentadecane-5,6-diimine;palladium
CID 87874969
6-N,7-N-diphenyldodecane-6,7-diimine;palladium
CID 87874738
7-N,8-N-diphenyltetradecane-7,8-diimine;nickel
CID 87874780
6-N-(3,5-dipropylphenyl)-5-N-phenyldecane-5,6-diimine
CID 87911478
3-N,4-N-diphenyldecane-3,4-diimine;palladium
CID 87876539
3-N,4-N-diphenyldecane-3,4-diimine;nickel
CID 87875369
phenyl N-phenyl-2-(phenylsulfanylmethylidene)hexanimidothioate
CID 67542990
2-phenylethyl N-phenylpropanimidothioate
CID 69128548
1-N-(3,5-diethylphenyl)-2-N-phenylhexane-1,2-diimine
CID 87875436
5-N,6-N-diphenyltridec-7-yne-5,6-diimine;nickel
CID 87876795
6-N-(3,4-dipentylphenyl)-5-N-phenyldecane-5,6-diimine;palladium
CID 87911026
(E)-5-N,6-N-diphenyltriacont-7-ene-5,6-diimine
CID 21033841

Frequently Asked Questions

What is the IUPAC name of hydroxy N-phenylpentanimidothioate?
The IUPAC name of hydroxy N-phenylpentanimidothioate (CID 102351744) is hydroxy N-phenylpentanimidothioate.
What is the SMILES notation for hydroxy N-phenylpentanimidothioate?
The canonical SMILES for hydroxy N-phenylpentanimidothioate is CCCC/C(=N/c1ccccc1)SO.
What is the InChIKey of hydroxy N-phenylpentanimidothioate?
The InChIKey is UMXQENOERCHBAS-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H15NOS/c1-2-3-9-11(14-13)12-10-7-5-4-6-8-10/h4-8,13H,2-3,9H2,1H3/b12-11-.
What are the key properties of hydroxy N-phenylpentanimidothioate?
hydroxy N-phenylpentanimidothioate has a molecular weight of 209.31 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy N-phenylpentanimidothioate is sourced from PubChem (CID 102351744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).