sodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate

C6H10NNaS2 — CID 166537548

IUPACsodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate
SMILESC=C(C)CN(C)C(=S)[S-].[Na+]
InChIInChI=1S/C6H11NS2.Na/c1-5(2)4-7(3)6(8)9;/h1,4H2,2-3H3,(H,8,9);/q;+1/p-1
InChIKeyUVCGWEFRVCVYJB-UHFFFAOYSA-M
MW183.28 g/mol
LogP-1.67
Rot. Bonds2

About sodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate

sodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate (PubChem CID 166537548) has the molecular formula C6H10NNaS2 and a molecular weight of 183.28 g/mol. Its IUPAC name is sodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate.

Molecular Properties

Compound Namesodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate
PubChem CID166537548
Molecular FormulaC6H10NNaS2
Molecular Weight183.28 g/mol
Exact Mass183.02
IUPAC Namesodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate
SMILESC=C(C)CN(C)C(=S)[S-].[Na+]
InChIInChI=1S/C6H11NS2.Na/c1-5(2)4-7(3)6(8)9;/h1,4H2,2-3H3,(H,8,9);/q;+1/p-1
InChIKeyUVCGWEFRVCVYJB-UHFFFAOYSA-M
XLogP-1.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 5-1.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-(2-methylprop-2-enyl)carbamodithioate?
The IUPAC name of sodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate (CID 166537548) is sodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate.
What is the SMILES notation for sodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate?
The canonical SMILES for sodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate is C=C(C)CN(C)C(=S)[S-].[Na+].
What is the InChIKey of sodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate?
The InChIKey is UVCGWEFRVCVYJB-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NS2.Na/c1-5(2)4-7(3)6(8)9;/h1,4H2,2-3H3,(H,8,9);/q;+1/p-1.
What are the key properties of sodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate?
sodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate has a molecular weight of 183.28 g/mol, XLogP of -1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-methyl-N-(2-methylprop-2-enyl)carbamodithioate is sourced from PubChem (CID 166537548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).