sodium N,N-diphenylcarbamothioate

C13H10NNaOS — CID 142702473

IUPACsodium N,N-diphenylcarbamothioate
SMILES[Na+].[O-]C(=S)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NOS.Na/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,15,16);/q;+1/p-1
InChIKeyCDYMOOLWEGJPGN-UHFFFAOYSA-M
MW251.29 g/mol
LogP-0.53
Rot. Bonds2

About sodium N,N-diphenylcarbamothioate

sodium N,N-diphenylcarbamothioate (PubChem CID 142702473) has the molecular formula C13H10NNaOS and a molecular weight of 251.29 g/mol. Its IUPAC name is sodium N,N-diphenylcarbamothioate.

Molecular Properties

Compound Namesodium N,N-diphenylcarbamothioate
PubChem CID142702473
Molecular FormulaC13H10NNaOS
Molecular Weight251.29 g/mol
Exact Mass251.04
IUPAC Namesodium N,N-diphenylcarbamothioate
SMILES[Na+].[O-]C(=S)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NOS.Na/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,15,16);/q;+1/p-1
InChIKeyCDYMOOLWEGJPGN-UHFFFAOYSA-M
XLogP-0.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

potassium N,N-diphenylcarbamodithioate
CID 23672385
cobalt;bis(diphenylcarbamic acid)
CID 155679078
1,1-diphenylurea
CID 174849888
(Z)-1-(N-phenylanilino)-2-triphenylphosphaniumylethenolate
CID 134876072
sodium;N,N-difluoroaniline;acetate
CID 162315438
methyl N-hydroxy-N-phenylcarbamodithioate
CID 134883426
1,1-diphenyl-3-propylthiourea
CID 59644427
N-[4-(N-acetylanilino)phenyl]-N-phenylacetamide
CID 14470893
sodium 2,2-diphenylethanethioate
CID 88787472
N-phenyl-N-(3,4,5-trifluorophenyl)carbamate
CID 156594025
benzyl-[(diphenylcarbamothioylamino)-phenylmethylidene]azanium
CID 6854544
O-methyl N-amino-N-phenylcarbamothioate;hydroiodide
CID 87761740

Frequently Asked Questions

What is the IUPAC name of sodium N,N-diphenylcarbamothioate?
The IUPAC name of sodium N,N-diphenylcarbamothioate (CID 142702473) is sodium N,N-diphenylcarbamothioate.
What is the SMILES notation for sodium N,N-diphenylcarbamothioate?
The canonical SMILES for sodium N,N-diphenylcarbamothioate is [Na+].[O-]C(=S)N(c1ccccc1)c1ccccc1.
What is the InChIKey of sodium N,N-diphenylcarbamothioate?
The InChIKey is CDYMOOLWEGJPGN-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NOS.Na/c15-13(16)14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10H,(H,15,16);/q;+1/p-1.
What are the key properties of sodium N,N-diphenylcarbamothioate?
sodium N,N-diphenylcarbamothioate has a molecular weight of 251.29 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N,N-diphenylcarbamothioate is sourced from PubChem (CID 142702473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).