sodium;benzylthiourea;hydride

C8H11N2NaS — CID 173079334

IUPACsodium;benzylthiourea;hydride
SMILESNC(=S)NCc1ccccc1.[H-].[Na+]
InChIInChI=1S/C8H10N2S.Na.H/c9-8(11)10-6-7-4-2-1-3-5-7;;/h1-5H,6H2,(H3,9,10,11);;/q;+1;-1
InChIKeyRJSOSMMQYGTCFS-UHFFFAOYSA-N
MW190.25 g/mol
LogP-1.86
Rot. Bonds2

About sodium;benzylthiourea;hydride

sodium;benzylthiourea;hydride (PubChem CID 173079334) has the molecular formula C8H11N2NaS and a molecular weight of 190.25 g/mol. Its IUPAC name is sodium;benzylthiourea;hydride.

Molecular Properties

Compound Namesodium;benzylthiourea;hydride
PubChem CID173079334
Molecular FormulaC8H11N2NaS
Molecular Weight190.25 g/mol
Exact Mass190.05
IUPAC Namesodium;benzylthiourea;hydride
SMILESNC(=S)NCc1ccccc1.[H-].[Na+]
InChIInChI=1S/C8H10N2S.Na.H/c9-8(11)10-6-7-4-2-1-3-5-7;;/h1-5H,6H2,(H3,9,10,11);;/q;+1;-1
InChIKeyRJSOSMMQYGTCFS-UHFFFAOYSA-N
XLogP-1.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 5-1.86
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

N-benzyl-2-(carbamothioylamino)acetamide
CID 86103801
(4-phenylmethoxyphenyl)methylthiourea
CID 5277334
[3-[(carbamothioylamino)methyl]phenyl]methylthiourea;dihydrobromide
CID 87439474
O-carbamothioyl N-benzylcarbamothioate
CID 87476638
N-benzylethanethioamide
CID 3598879
(4-methylphenyl)methylthiourea;hydrochloride
CID 22226303
benzylcarbamothioylsulfanyl N-benzylcarbamodithioate
CID 57324056
benzene;benzylurea;hydrazine
CID 68793593
N'-(2-amino-2-sulfanylideneethyl)-N-benzyloxamide
CID 43316161
2-(benzylcarbamothioylamino)acetamide
CID 123762736
N'-benzyloxamide
CID 561416
benzylthiourea;5-bromo-2-methylbenzenesulfonic acid
CID 71444425

Frequently Asked Questions

What is the IUPAC name of sodium;benzylthiourea;hydride?
The IUPAC name of sodium;benzylthiourea;hydride (CID 173079334) is sodium;benzylthiourea;hydride.
What is the SMILES notation for sodium;benzylthiourea;hydride?
The canonical SMILES for sodium;benzylthiourea;hydride is NC(=S)NCc1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;benzylthiourea;hydride?
The InChIKey is RJSOSMMQYGTCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S.Na.H/c9-8(11)10-6-7-4-2-1-3-5-7;;/h1-5H,6H2,(H3,9,10,11);;/q;+1;-1.
What are the key properties of sodium;benzylthiourea;hydride?
sodium;benzylthiourea;hydride has a molecular weight of 190.25 g/mol, XLogP of -1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzylthiourea;hydride is sourced from PubChem (CID 173079334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).