naphthalene-2-carbothioamide

C11H9NS — CID 2800333

IUPACnaphthalene-2-carbothioamide
SMILESNC(=S)c1ccc2ccccc2c1
InChIInChI=1S/C11H9NS/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13)
InChIKeyZQGJZFKITDDUEH-UHFFFAOYSA-N
MW187.27 g/mol
LogP2.47
Rot. Bonds1

About naphthalene-2-carbothioamide

naphthalene-2-carbothioamide (PubChem CID 2800333) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is naphthalene-2-carbothioamide.

Molecular Properties

Compound Namenaphthalene-2-carbothioamide
PubChem CID2800333
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Namenaphthalene-2-carbothioamide
SMILESNC(=S)c1ccc2ccccc2c1
InChIInChI=1S/C11H9NS/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13)
InChIKeyZQGJZFKITDDUEH-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 52.47
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

1-Naphthalenemethanamine
CID 8355
1-(Naphthalen-2-yl)ethan-1-amine
CID 3857145
1-Naphthaleneethanethioamide
CID 3033873
9-Anthracenemethanamine
CID 11085034
1-(2-Naphthyl)methanamine
CID 137282
1-Naphthalenemethyl isothiocyanate
CID 140182
2,4-Dimethylbenzenecarbothioamide
CID 2517680
Naphthalen-1-ylmethanamine hydrochloride
CID 458436
Naphthalene-1-carbothioamide
CID 3981658
(1S)-1-(naphthalen-2-yl)ethan-1-amine
CID 1201503
(1R)-1-(naphthalen-2-yl)ethan-1-amine
CID 1798835
4-Biphenylthiocarboxamide
CID 15785125

Frequently Asked Questions

What is the IUPAC name of naphthalene-2-carbothioamide?
The IUPAC name of naphthalene-2-carbothioamide (CID 2800333) is naphthalene-2-carbothioamide.
What is the SMILES notation for naphthalene-2-carbothioamide?
The canonical SMILES for naphthalene-2-carbothioamide is NC(=S)c1ccc2ccccc2c1.
What is the InChIKey of naphthalene-2-carbothioamide?
The InChIKey is ZQGJZFKITDDUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NS/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13).
What are the key properties of naphthalene-2-carbothioamide?
naphthalene-2-carbothioamide has a molecular weight of 187.27 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-2-carbothioamide is sourced from PubChem (CID 2800333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).