2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol

C15H16S — CID 130240545

IUPAC2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol
SMILESC=C(C)c1c(CCS)ccc2ccccc12
InChIInChI=1S/C15H16S/c1-11(2)15-13(9-10-16)8-7-12-5-3-4-6-14(12)15/h3-8,16H,1,9-10H2,2H3
InChIKeyCBOXHVFRDQYXQP-UHFFFAOYSA-N
MW228.36 g/mol
LogP4.35
Rot. Bonds3

About 2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol

2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol (PubChem CID 130240545) has the molecular formula C15H16S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol.

Molecular Properties

Compound Name2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol
PubChem CID130240545
Molecular FormulaC15H16S
Molecular Weight228.36 g/mol
Exact Mass228.10
IUPAC Name2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol
SMILESC=C(C)c1c(CCS)ccc2ccccc12
InChIInChI=1S/C15H16S/c1-11(2)15-13(9-10-16)8-7-12-5-3-4-6-14(12)15/h3-8,16H,1,9-10H2,2H3
InChIKeyCBOXHVFRDQYXQP-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-prop-1-en-2-ylnaphthalene
CID 123573503
chrysene;2-methylprop-1-ene
CID 173244266
1-(4-methylpent-4-enyl)naphthalene
CID 146002701
2-pentylnaphthalene-1-carboxylic acid
CID 67806914
1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene
CID 163606470
2-(2-phenylethyl)naphthalene-1-carboxylic acid
CID 18956874
azane;1-prop-1-en-2-ylnaphthalene
CID 122612227
2-pentylnaphthalene-1-carboxamide
CID 154106171
acetic acid;chrysene
CID 175201446
2-[2-[3-(methylamino)but-3-enyl]phenyl]ethanethiol
CID 170232845
(1-methylnaphthalen-2-yl)methanol
CID 15054223
3-benzyl-2-prop-1-en-2-ylbenzenethiol
CID 142100981

Frequently Asked Questions

What is the IUPAC name of 2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol?
The IUPAC name of 2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol (CID 130240545) is 2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol.
What is the SMILES notation for 2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol?
The canonical SMILES for 2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol is C=C(C)c1c(CCS)ccc2ccccc12.
What is the InChIKey of 2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol?
The InChIKey is CBOXHVFRDQYXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16S/c1-11(2)15-13(9-10-16)8-7-12-5-3-4-6-14(12)15/h3-8,16H,1,9-10H2,2H3.
What are the key properties of 2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol?
2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol has a molecular weight of 228.36 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-prop-1-en-2-ylnaphthalen-2-yl)ethanethiol is sourced from PubChem (CID 130240545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).