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

C6H10NS2- — CID 171600524

IUPACN-methyl-N-(2-methylprop-2-enyl)carbamodithioate
SMILESC=C(C)CN(C)C(=S)[S-]
InChIInChI=1S/C6H11NS2/c1-5(2)4-7(3)6(8)9/h1,4H2,2-3H3,(H,8,9)/p-1
InChIKeySQGBLJSFVRREAA-UHFFFAOYSA-M
MW160.29 g/mol
LogP1.33
Rot. Bonds2

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

N-methyl-N-(2-methylprop-2-enyl)carbamodithioate (PubChem CID 171600524) has the molecular formula C6H10NS2- and a molecular weight of 160.29 g/mol. Its IUPAC name is N-methyl-N-(2-methylprop-2-enyl)carbamodithioate.

Molecular Properties

Compound NameN-methyl-N-(2-methylprop-2-enyl)carbamodithioate
PubChem CID171600524
Molecular FormulaC6H10NS2-
Molecular Weight160.29 g/mol
Exact Mass160.03
IUPAC NameN-methyl-N-(2-methylprop-2-enyl)carbamodithioate
SMILESC=C(C)CN(C)C(=S)[S-]
InChIInChI=1S/C6H11NS2/c1-5(2)4-7(3)6(8)9/h1,4H2,2-3H3,(H,8,9)/p-1
InChIKeySQGBLJSFVRREAA-UHFFFAOYSA-M
XLogP1.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 51.33
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 N-methyl-N-(2-methylprop-2-enyl)carbamodithioate?
The IUPAC name of N-methyl-N-(2-methylprop-2-enyl)carbamodithioate (CID 171600524) is N-methyl-N-(2-methylprop-2-enyl)carbamodithioate.
What is the SMILES notation for N-methyl-N-(2-methylprop-2-enyl)carbamodithioate?
The canonical SMILES for N-methyl-N-(2-methylprop-2-enyl)carbamodithioate is C=C(C)CN(C)C(=S)[S-].
What is the InChIKey of N-methyl-N-(2-methylprop-2-enyl)carbamodithioate?
The InChIKey is SQGBLJSFVRREAA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NS2/c1-5(2)4-7(3)6(8)9/h1,4H2,2-3H3,(H,8,9)/p-1.
What are the key properties of N-methyl-N-(2-methylprop-2-enyl)carbamodithioate?
N-methyl-N-(2-methylprop-2-enyl)carbamodithioate has a molecular weight of 160.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylprop-2-enyl)carbamodithioate is sourced from PubChem (CID 171600524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).