(Z)-3-naphthalen-1-ylsulfanylprop-2-enal

C13H10OS — CID 134891264

IUPAC(Z)-3-naphthalen-1-ylsulfanylprop-2-enal
SMILESO=C/C=C\Sc1cccc2ccccc12
InChIInChI=1S/C13H10OS/c14-9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H/b10-4-
InChIKeyBRKIZHUIKUYHPX-WMZJFQQLSA-N
MW214.29 g/mol
LogP3.64
Rot. Bonds3

About (Z)-3-naphthalen-1-ylsulfanylprop-2-enal

(Z)-3-naphthalen-1-ylsulfanylprop-2-enal (PubChem CID 134891264) has the molecular formula C13H10OS and a molecular weight of 214.29 g/mol. Its IUPAC name is (Z)-3-naphthalen-1-ylsulfanylprop-2-enal.

Molecular Properties

Compound Name(Z)-3-naphthalen-1-ylsulfanylprop-2-enal
PubChem CID134891264
Molecular FormulaC13H10OS
Molecular Weight214.29 g/mol
Exact Mass214.05
IUPAC Name(Z)-3-naphthalen-1-ylsulfanylprop-2-enal
SMILESO=C/C=C\Sc1cccc2ccccc12
InChIInChI=1S/C13H10OS/c14-9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H/b10-4-
InChIKeyBRKIZHUIKUYHPX-WMZJFQQLSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-ylsulfanylacetaldehyde
CID 57268910
azanylidyne(naphthalen-1-yl)-λ4-sulfane
CID 158900561
naphthalen-1-yl thiohypofluorite
CID 142394158
1-diazoniosulfanylnaphthalene
CID 172863183
4-naphthalen-1-ylsulfanylazetidin-2-one
CID 118526414
naphthalene-1-carbaldehyde;zinc
CID 88790891
naphthalene-1-carbaldehyde;hydroiodide
CID 172736279
3-(2-methylnaphthalen-1-yl)prop-2-enal
CID 169459674
3-naphthalen-1-ylsulfanylbenzene-1,2-diol
CID 174889170
1-butan-2-ylsulfanylnaphthalene
CID 46892889
N'-naphthalen-1-ylsulfanylmethanediamine
CID 142909426
2-naphthalen-1-ylacetaldehyde
CID 12570786

Frequently Asked Questions

What is the IUPAC name of (Z)-3-naphthalen-1-ylsulfanylprop-2-enal?
The IUPAC name of (Z)-3-naphthalen-1-ylsulfanylprop-2-enal (CID 134891264) is (Z)-3-naphthalen-1-ylsulfanylprop-2-enal.
What is the SMILES notation for (Z)-3-naphthalen-1-ylsulfanylprop-2-enal?
The canonical SMILES for (Z)-3-naphthalen-1-ylsulfanylprop-2-enal is O=C/C=C\Sc1cccc2ccccc12.
What is the InChIKey of (Z)-3-naphthalen-1-ylsulfanylprop-2-enal?
The InChIKey is BRKIZHUIKUYHPX-WMZJFQQLSA-N. The full InChI is InChI=1S/C13H10OS/c14-9-4-10-15-13-8-3-6-11-5-1-2-7-12(11)13/h1-10H/b10-4-.
What are the key properties of (Z)-3-naphthalen-1-ylsulfanylprop-2-enal?
(Z)-3-naphthalen-1-ylsulfanylprop-2-enal has a molecular weight of 214.29 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-naphthalen-1-ylsulfanylprop-2-enal is sourced from PubChem (CID 134891264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).