1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine

C13H17NS — CID 155262105

IUPAC1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine
SMILESCC/C(=N\C=S=C(C)C)c1ccccc1
InChIInChI=1S/C13H17NS/c1-4-13(14-10-15-11(2)3)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3/b14-13+
InChIKeyVUHUNVWIZDGUPY-BUHFOSPRSA-N
MW219.35 g/mol
LogP3.59
Rot. Bonds3

About 1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine

1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine (PubChem CID 155262105) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine.

Molecular Properties

Compound Name1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine
PubChem CID155262105
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine
SMILESCC/C(=N\C=S=C(C)C)c1ccccc1
InChIInChI=1S/C13H17NS/c1-4-13(14-10-15-11(2)3)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3/b14-13+
InChIKeyVUHUNVWIZDGUPY-BUHFOSPRSA-N
XLogP3.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-1-phenylpropan-1-imine
CID 12694730
(N-diazonio-C-ethylcarbonimidoyl)benzene
CID 134845103
1-(1-phenylpropylideneamino)ethanol
CID 174080576
N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine
CID 122659216
(Z)-2-phenylbut-1-en-1-amine
CID 142213019
(Z)-N-dipropylboranyl-1-phenylpropan-1-imine
CID 127258245
5-methylhepta-3,5-dien-3-ylbenzene
CID 123274191
ethyl [(E)-1-phenylpropylideneamino] carbonate
CID 134874580
(Z)-N-ethyl-2-phenylpent-2-en-1-imine
CID 143898078
(4Z)-4-hydrazinylidene-4-phenylbutanoic acid
CID 5406458
1,2-diphenylethylidenehydrazine;ethane
CID 91449631
[(Z)-1-methylsulfanylbut-1-en-2-yl]benzene
CID 134933163

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine?
The IUPAC name of 1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine (CID 155262105) is 1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine.
What is the SMILES notation for 1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine?
The canonical SMILES for 1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine is CC/C(=N\C=S=C(C)C)c1ccccc1.
What is the InChIKey of 1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine?
The InChIKey is VUHUNVWIZDGUPY-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H17NS/c1-4-13(14-10-15-11(2)3)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3/b14-13+.
What are the key properties of 1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine?
1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine has a molecular weight of 219.35 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine is sourced from PubChem (CID 155262105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).