2-methylnaphthalene-1-carbaldehyde;sulfane

C12H12OS — CID 157328712

IUPAC2-methylnaphthalene-1-carbaldehyde;sulfane
SMILESCc1ccc2ccccc2c1C=O.S
InChIInChI=1S/C12H10O.H2S/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13;/h2-8H,1H3;1H2
InChIKeyMKCAFSBXJINRGA-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.07
Rot. Bonds1

About 2-methylnaphthalene-1-carbaldehyde;sulfane

2-methylnaphthalene-1-carbaldehyde;sulfane (PubChem CID 157328712) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-methylnaphthalene-1-carbaldehyde;sulfane.

Molecular Properties

Compound Name2-methylnaphthalene-1-carbaldehyde;sulfane
PubChem CID157328712
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name2-methylnaphthalene-1-carbaldehyde;sulfane
SMILESCc1ccc2ccccc2c1C=O.S
InChIInChI=1S/C12H10O.H2S/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13;/h2-8H,1H3;1H2
InChIKeyMKCAFSBXJINRGA-UHFFFAOYSA-N
XLogP3.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylnaphthalen-1-yl)prop-2-enal
CID 169459674
ethane;2-ethylnaphthalene-1-carbaldehyde
CID 91261169
2-methyl-1-prop-1-enylnaphthalene
CID 123646968
2-(2,4,6-trimethylphenyl)naphthalene-1-carbaldehyde
CID 88526025
2-chloronaphthalene-1-carbaldehyde
CID 19065818
1-ethenyl-2-methylphenanthrene
CID 18927842
2-(trideuteriomethoxy)naphthalene-1-carbaldehyde
CID 163342997
2-(1,3,4-trimethylnaphthalen-2-yl)naphthalene-1-carbaldehyde
CID 101108886
2-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)naphthalene-1-carbaldehyde
CID 141067355
(E)-2-methyl-3-(2-methylnaphthalen-1-yl)prop-2-enoic acid
CID 170873203
(1-formylnaphthalen-2-yl) acetate
CID 2063426
(E)-1-(2-methylnaphthalen-1-yl)prop-1-en-2-amine
CID 155088802

Frequently Asked Questions

What is the IUPAC name of 2-methylnaphthalene-1-carbaldehyde;sulfane?
The IUPAC name of 2-methylnaphthalene-1-carbaldehyde;sulfane (CID 157328712) is 2-methylnaphthalene-1-carbaldehyde;sulfane.
What is the SMILES notation for 2-methylnaphthalene-1-carbaldehyde;sulfane?
The canonical SMILES for 2-methylnaphthalene-1-carbaldehyde;sulfane is Cc1ccc2ccccc2c1C=O.S.
What is the InChIKey of 2-methylnaphthalene-1-carbaldehyde;sulfane?
The InChIKey is MKCAFSBXJINRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.H2S/c1-9-6-7-10-4-2-3-5-11(10)12(9)8-13;/h2-8H,1H3;1H2.
What are the key properties of 2-methylnaphthalene-1-carbaldehyde;sulfane?
2-methylnaphthalene-1-carbaldehyde;sulfane has a molecular weight of 204.29 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylnaphthalene-1-carbaldehyde;sulfane is sourced from PubChem (CID 157328712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).