2-(4-methylphenyl)sulfanylprop-2-enal

C10H10OS — CID 15627206

IUPAC2-(4-methylphenyl)sulfanylprop-2-enal
SMILESC=C(C=O)Sc1ccc(C)cc1
InChIInChI=1S/C10H10OS/c1-8-3-5-10(6-4-8)12-9(2)7-11/h3-7H,2H2,1H3
InChIKeyBFYYNWXFTPJBSU-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.80
Rot. Bonds3

About 2-(4-methylphenyl)sulfanylprop-2-enal

2-(4-methylphenyl)sulfanylprop-2-enal (PubChem CID 15627206) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanylprop-2-enal.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanylprop-2-enal
PubChem CID15627206
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name2-(4-methylphenyl)sulfanylprop-2-enal
SMILESC=C(C=O)Sc1ccc(C)cc1
InChIInChI=1S/C10H10OS/c1-8-3-5-10(6-4-8)12-9(2)7-11/h3-7H,2H2,1H3
InChIKeyBFYYNWXFTPJBSU-UHFFFAOYSA-N
XLogP2.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.80
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-(4-methylphenyl)sulfanylprop-2-enamide
CID 70098228
1,2-bis[(4-methylphenyl)sulfanyl]ethene-1,2-dithiol
CID 76564021
(2Z,4E)-2,3,4,5-tetrachloro-5-(4-methylphenyl)sulfanylpenta-2,4-dienal
CID 134893816
S-(4-methylphenyl) 3-methyl-2-methylidenebutanethioate
CID 102467151
S-(4-methylphenyl) 2-methylidenepentanethioate
CID 101096443
ethyl 2-(4-methylphenyl)sulfanylprop-2-enoate
CID 91875319
(Z)-3-(4-methylphenyl)sulfanyl-3-phenylprop-2-enoic acid
CID 5385343
3-(4-methylphenyl)sulfanylprop-1-en-2-amine
CID 143815010
S-(4-methylphenyl) 2,2,2-trichloroethanethioate
CID 14947453
N-[(4-methylphenyl)sulfanylmethyl]-N-pent-1-en-2-ylformamide
CID 143677138
3-methoxy-3-methyl-2-methylidene-4-(4-methylphenyl)sulfanylbutanal
CID 14224838
(4-methylphenyl) carbamimidothioate;hydrochloride
CID 167442713

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanylprop-2-enal?
The IUPAC name of 2-(4-methylphenyl)sulfanylprop-2-enal (CID 15627206) is 2-(4-methylphenyl)sulfanylprop-2-enal.
What is the SMILES notation for 2-(4-methylphenyl)sulfanylprop-2-enal?
The canonical SMILES for 2-(4-methylphenyl)sulfanylprop-2-enal is C=C(C=O)Sc1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanylprop-2-enal?
The InChIKey is BFYYNWXFTPJBSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-8-3-5-10(6-4-8)12-9(2)7-11/h3-7H,2H2,1H3.
What are the key properties of 2-(4-methylphenyl)sulfanylprop-2-enal?
2-(4-methylphenyl)sulfanylprop-2-enal has a molecular weight of 178.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanylprop-2-enal is sourced from PubChem (CID 15627206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).