2-naphthalen-1-ylsulfanylacetaldehyde

C12H10OS — CID 57268910

IUPAC2-naphthalen-1-ylsulfanylacetaldehyde
SMILESO=CCSc1cccc2ccccc12
InChIInChI=1S/C12H10OS/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2
InChIKeySMSPSZQHXOESBY-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.13
Rot. Bonds3

About 2-naphthalen-1-ylsulfanylacetaldehyde

2-naphthalen-1-ylsulfanylacetaldehyde (PubChem CID 57268910) has the molecular formula C12H10OS and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-naphthalen-1-ylsulfanylacetaldehyde.

Molecular Properties

Compound Name2-naphthalen-1-ylsulfanylacetaldehyde
PubChem CID57268910
Molecular FormulaC12H10OS
Molecular Weight202.28 g/mol
Exact Mass202.05
IUPAC Name2-naphthalen-1-ylsulfanylacetaldehyde
SMILESO=CCSc1cccc2ccccc12
InChIInChI=1S/C12H10OS/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2
InChIKeySMSPSZQHXOESBY-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-naphthalen-1-ylsulfanylprop-2-enal
CID 134891264
naphthalen-1-yl thiohypofluorite
CID 142394158
azanylidyne(naphthalen-1-yl)-λ4-sulfane
CID 158900561
3,3-dimethyl-1-naphthalen-1-ylsulfanylbutan-2-one
CID 40645894
2-naphthalen-1-ylsulfanylethyl prop-2-enoate
CID 57077168
3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one
CID 12667048
1-naphthalen-1-ylsulfanylpropan-2-ol;prop-2-enoic acid
CID 175303082
3-naphthalen-1-ylsulfanylbenzene-1,2-diol
CID 174889170
2-naphthalen-1-ylacetaldehyde
CID 12570786
2,3-dihydroxy-4-naphthalen-1-ylsulfanylcyclohepta-2,4,6-trien-1-one
CID 155279281
N,N-dimethyl-3-naphthalen-1-ylsulfanylpropan-1-amine
CID 46892772
2-naphthalen-1-ylsulfanylnaphthalene-1-thiol
CID 57475542

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylsulfanylacetaldehyde?
The IUPAC name of 2-naphthalen-1-ylsulfanylacetaldehyde (CID 57268910) is 2-naphthalen-1-ylsulfanylacetaldehyde.
What is the SMILES notation for 2-naphthalen-1-ylsulfanylacetaldehyde?
The canonical SMILES for 2-naphthalen-1-ylsulfanylacetaldehyde is O=CCSc1cccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylsulfanylacetaldehyde?
The InChIKey is SMSPSZQHXOESBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h1-8H,9H2.
What are the key properties of 2-naphthalen-1-ylsulfanylacetaldehyde?
2-naphthalen-1-ylsulfanylacetaldehyde has a molecular weight of 202.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylsulfanylacetaldehyde is sourced from PubChem (CID 57268910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).