sodium N-methyl-N-phenylcarbamodithioate

C8H8NNaS2 — CID 11117198

IUPACsodium N-methyl-N-phenylcarbamodithioate
SMILESCN(C(=S)[S-])c1ccccc1.[Na+]
InChIInChI=1S/C8H9NS2.Na/c1-9(8(10)11)7-5-3-2-4-6-7;/h2-6H,1H3,(H,10,11);/q;+1/p-1
InChIKeyPZFBFVVXYPHDJH-UHFFFAOYSA-M
MW205.28 g/mol
LogP-1.04
Rot. Bonds1

About sodium N-methyl-N-phenylcarbamodithioate

sodium N-methyl-N-phenylcarbamodithioate (PubChem CID 11117198) has the molecular formula C8H8NNaS2 and a molecular weight of 205.28 g/mol. Its IUPAC name is sodium N-methyl-N-phenylcarbamodithioate.

Molecular Properties

Compound Namesodium N-methyl-N-phenylcarbamodithioate
PubChem CID11117198
Molecular FormulaC8H8NNaS2
Molecular Weight205.28 g/mol
Exact Mass205.00
IUPAC Namesodium N-methyl-N-phenylcarbamodithioate
SMILESCN(C(=S)[S-])c1ccccc1.[Na+]
InChIInChI=1S/C8H9NS2.Na/c1-9(8(10)11)7-5-3-2-4-6-7;/h2-6H,1H3,(H,10,11);/q;+1/p-1
InChIKeyPZFBFVVXYPHDJH-UHFFFAOYSA-M
XLogP-1.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 5-1.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium N-methyl-N-phenylcarbamodithioate?
The IUPAC name of sodium N-methyl-N-phenylcarbamodithioate (CID 11117198) is sodium N-methyl-N-phenylcarbamodithioate.
What is the SMILES notation for sodium N-methyl-N-phenylcarbamodithioate?
The canonical SMILES for sodium N-methyl-N-phenylcarbamodithioate is CN(C(=S)[S-])c1ccccc1.[Na+].
What is the InChIKey of sodium N-methyl-N-phenylcarbamodithioate?
The InChIKey is PZFBFVVXYPHDJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NS2.Na/c1-9(8(10)11)7-5-3-2-4-6-7;/h2-6H,1H3,(H,10,11);/q;+1/p-1.
What are the key properties of sodium N-methyl-N-phenylcarbamodithioate?
sodium N-methyl-N-phenylcarbamodithioate has a molecular weight of 205.28 g/mol, XLogP of -1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-methyl-N-phenylcarbamodithioate is sourced from PubChem (CID 11117198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).