N,N-dimethylcarbamodithioate

C3H6NS2- — CID 3566770

IUPACN,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)[S-]
InChIInChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)/p-1
InChIKeyMZGNSEAPZQGJRB-UHFFFAOYSA-M
MW120.22 g/mol
LogP0.38
Rot. Bonds

About N,N-dimethylcarbamodithioate

N,N-dimethylcarbamodithioate (PubChem CID 3566770) has the molecular formula C3H6NS2- and a molecular weight of 120.22 g/mol. Its IUPAC name is N,N-dimethylcarbamodithioate.

Molecular Properties

Compound NameN,N-dimethylcarbamodithioate
PubChem CID3566770
Molecular FormulaC3H6NS2-
Molecular Weight120.22 g/mol
Exact Mass119.99
IUPAC NameN,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)[S-]
InChIInChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)/p-1
InChIKeyMZGNSEAPZQGJRB-UHFFFAOYSA-M
XLogP0.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 50.38
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 N,N-dimethylcarbamodithioate?
The IUPAC name of N,N-dimethylcarbamodithioate (CID 3566770) is N,N-dimethylcarbamodithioate.
What is the SMILES notation for N,N-dimethylcarbamodithioate?
The canonical SMILES for N,N-dimethylcarbamodithioate is CN(C)C(=S)[S-].
What is the InChIKey of N,N-dimethylcarbamodithioate?
The InChIKey is MZGNSEAPZQGJRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7NS2/c1-4(2)3(5)6/h1-2H3,(H,5,6)/p-1.
What are the key properties of N,N-dimethylcarbamodithioate?
N,N-dimethylcarbamodithioate has a molecular weight of 120.22 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcarbamodithioate is sourced from PubChem (CID 3566770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).