3-naphthalen-2-ylpropanethioamide;hydrobromide

C13H14BrNS — CID 159191569

IUPAC3-naphthalen-2-ylpropanethioamide;hydrobromide
SMILESBr.NC(=S)CCc1ccc2ccccc2c1
InChIInChI=1S/C13H13NS.BrH/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10;/h1-5,7,9H,6,8H2,(H2,14,15);1H
InChIKeySAHVIQRXVLUDQO-UHFFFAOYSA-N
MW296.23 g/mol
LogP3.64
Rot. Bonds3

About 3-naphthalen-2-ylpropanethioamide;hydrobromide

3-naphthalen-2-ylpropanethioamide;hydrobromide (PubChem CID 159191569) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 3-naphthalen-2-ylpropanethioamide;hydrobromide.

Molecular Properties

Compound Name3-naphthalen-2-ylpropanethioamide;hydrobromide
PubChem CID159191569
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name3-naphthalen-2-ylpropanethioamide;hydrobromide
SMILESBr.NC(=S)CCc1ccc2ccccc2c1
InChIInChI=1S/C13H13NS.BrH/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10;/h1-5,7,9H,6,8H2,(H2,14,15);1H
InChIKeySAHVIQRXVLUDQO-UHFFFAOYSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
N-methyl-3-naphthalen-2-ylpropanamide
CID 47293107
CID 57459119
CID 57459119
3,5-bis(2-naphthalen-2-ylethyl)phenol
CID 171715370
4-diazo-1,7-dinaphthalen-2-ylheptane-3,5-dione
CID 54393255
2-(naphthalen-2-ylmethyl)naphthalene
CID 14123480
2-(bromomethyl)naphthalene;hydrobromide
CID 158623865
10-naphthalen-2-yldecanoic acid
CID 21478009
ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326
2-naphthalen-2-yloxyethanethioamide
CID 7454258
2-(4,4,4-trifluorobutyl)naphthalene
CID 91307122
3-naphthalen-2-yl-2-oxopropanamide
CID 57061050

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-ylpropanethioamide;hydrobromide?
The IUPAC name of 3-naphthalen-2-ylpropanethioamide;hydrobromide (CID 159191569) is 3-naphthalen-2-ylpropanethioamide;hydrobromide.
What is the SMILES notation for 3-naphthalen-2-ylpropanethioamide;hydrobromide?
The canonical SMILES for 3-naphthalen-2-ylpropanethioamide;hydrobromide is Br.NC(=S)CCc1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-ylpropanethioamide;hydrobromide?
The InChIKey is SAHVIQRXVLUDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS.BrH/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10;/h1-5,7,9H,6,8H2,(H2,14,15);1H.
What are the key properties of 3-naphthalen-2-ylpropanethioamide;hydrobromide?
3-naphthalen-2-ylpropanethioamide;hydrobromide has a molecular weight of 296.23 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-ylpropanethioamide;hydrobromide is sourced from PubChem (CID 159191569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).