sodium;hydride;phenylthiourea

C7H9N2NaS — CID 174376840

IUPACsodium;hydride;phenylthiourea
SMILESNC(=S)Nc1ccccc1.[H-].[Na+]
InChIInChI=1S/C7H8N2S.Na.H/c8-7(10)9-6-4-2-1-3-5-6;;/h1-5H,(H3,8,9,10);;/q;+1;-1
InChIKeyAPQVSZIUCAIAKL-UHFFFAOYSA-N
MW176.22 g/mol
LogP-1.54
Rot. Bonds1

About sodium;hydride;phenylthiourea

sodium;hydride;phenylthiourea (PubChem CID 174376840) has the molecular formula C7H9N2NaS and a molecular weight of 176.22 g/mol. Its IUPAC name is sodium;hydride;phenylthiourea.

Molecular Properties

Compound Namesodium;hydride;phenylthiourea
PubChem CID174376840
Molecular FormulaC7H9N2NaS
Molecular Weight176.22 g/mol
Exact Mass176.04
IUPAC Namesodium;hydride;phenylthiourea
SMILESNC(=S)Nc1ccccc1.[H-].[Na+]
InChIInChI=1S/C7H8N2S.Na.H/c8-7(10)9-6-4-2-1-3-5-6;;/h1-5H,(H3,8,9,10);;/q;+1;-1
InChIKeyAPQVSZIUCAIAKL-UHFFFAOYSA-N
XLogP-1.54
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-1.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[4-(1-phenylethenyl)phenyl]thiourea
CID 169359445
phenylurea;thiourea
CID 160770333
[2-(carbamothioylamino)phenyl]thiourea
CID 21412484
pyridin-3-ylthiourea
CID 2760515
(3-chlorophenyl)thiourea
CID 2734794
N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
CID 169359471
phenylcarbamodithioic acid;hydrochloride
CID 141118460
[4-(carbamothioylamino)phenyl]boronic acid
CID 169356060
1-(4-aminophenyl)-3-phenylthiourea
CID 4566503
(4-pyrimidin-2-ylphenyl)thiourea
CID 169356507
4-anilino-4-sulfanylidenebutanamide
CID 140968084
sodium;benzylthiourea;hydride
CID 173079334

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;phenylthiourea?
The IUPAC name of sodium;hydride;phenylthiourea (CID 174376840) is sodium;hydride;phenylthiourea.
What is the SMILES notation for sodium;hydride;phenylthiourea?
The canonical SMILES for sodium;hydride;phenylthiourea is NC(=S)Nc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;phenylthiourea?
The InChIKey is APQVSZIUCAIAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S.Na.H/c8-7(10)9-6-4-2-1-3-5-6;;/h1-5H,(H3,8,9,10);;/q;+1;-1.
What are the key properties of sodium;hydride;phenylthiourea?
sodium;hydride;phenylthiourea has a molecular weight of 176.22 g/mol, XLogP of -1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;phenylthiourea is sourced from PubChem (CID 174376840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).