1-naphthalen-1-yl-1-thionitrosourea

C11H9N3OS — CID 142806020

IUPAC1-naphthalen-1-yl-1-thionitrosourea
SMILESNC(=O)N(N=S)c1cccc2ccccc12
InChIInChI=1S/C11H9N3OS/c12-11(15)14(13-16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,12,15)
InChIKeyJZPMKVDDRCYROI-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.37
Rot. Bonds2

About 1-naphthalen-1-yl-1-thionitrosourea

1-naphthalen-1-yl-1-thionitrosourea (PubChem CID 142806020) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-naphthalen-1-yl-1-thionitrosourea.

Molecular Properties

Compound Name1-naphthalen-1-yl-1-thionitrosourea
PubChem CID142806020
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name1-naphthalen-1-yl-1-thionitrosourea
SMILESNC(=O)N(N=S)c1cccc2ccccc12
InChIInChI=1S/C11H9N3OS/c12-11(15)14(13-16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,12,15)
InChIKeyJZPMKVDDRCYROI-UHFFFAOYSA-N
XLogP2.37
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-1-sulfamoylurea
CID 174809861
chloro(naphthalen-1-yl)carbamic acid;hydrochloride
CID 88734221
carbamic acid;perylene
CID 22363514
N,N-dimethylnaphthalen-1-amine;hydroxylamine
CID 135773162
1,1,2,2-tetranaphthalen-1-ylhydrazine
CID 21439529
3-amino-1-methyl-1-naphthalen-1-ylurea
CID 115192586
N-hydrazinyl-N-naphthalen-1-ylnitrous amide
CID 175266149
methyl N-methoxycarbonyl-N-naphthalen-1-ylcarbamate
CID 138084079
1-naphthalen-1-yl-1-(3-propylhexan-2-yl)urea
CID 53431644
2-[amino(naphthalen-1-yl)amino]propanoic acid
CID 68905230
1-(2H-isoindol-5-ylmethyl)-1-naphthalen-1-ylurea
CID 91285452
N-hydroxy-N-naphthalen-1-ylbenzamide
CID 12512835

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-1-thionitrosourea?
The IUPAC name of 1-naphthalen-1-yl-1-thionitrosourea (CID 142806020) is 1-naphthalen-1-yl-1-thionitrosourea.
What is the SMILES notation for 1-naphthalen-1-yl-1-thionitrosourea?
The canonical SMILES for 1-naphthalen-1-yl-1-thionitrosourea is NC(=O)N(N=S)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-1-thionitrosourea?
The InChIKey is JZPMKVDDRCYROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c12-11(15)14(13-16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,12,15).
What are the key properties of 1-naphthalen-1-yl-1-thionitrosourea?
1-naphthalen-1-yl-1-thionitrosourea has a molecular weight of 231.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-1-thionitrosourea is sourced from PubChem (CID 142806020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).