N-methyl-N-pyridin-4-ylcarbamodithioate

C7H7N2S2- — CID 58035970

IUPACN-methyl-N-pyridin-4-ylcarbamodithioate
SMILESCN(C(=S)[S-])c1ccncc1
InChIInChI=1S/C7H8N2S2/c1-9(7(10)11)6-2-4-8-5-3-6/h2-5H,1H3,(H,10,11)/p-1
InChIKeyKVJKNFWDRRHZLP-UHFFFAOYSA-M
MW183.28 g/mol
LogP1.35
Rot. Bonds1

About N-methyl-N-pyridin-4-ylcarbamodithioate

N-methyl-N-pyridin-4-ylcarbamodithioate (PubChem CID 58035970) has the molecular formula C7H7N2S2- and a molecular weight of 183.28 g/mol. Its IUPAC name is N-methyl-N-pyridin-4-ylcarbamodithioate.

Molecular Properties

Compound NameN-methyl-N-pyridin-4-ylcarbamodithioate
PubChem CID58035970
Molecular FormulaC7H7N2S2-
Molecular Weight183.28 g/mol
Exact Mass183.01
IUPAC NameN-methyl-N-pyridin-4-ylcarbamodithioate
SMILESCN(C(=S)[S-])c1ccncc1
InChIInChI=1S/C7H8N2S2/c1-9(7(10)11)6-2-4-8-5-3-6/h2-5H,1H3,(H,10,11)/p-1
InChIKeyKVJKNFWDRRHZLP-UHFFFAOYSA-M
XLogP1.35
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl(pyridin-4-yl)carbamic acid
CID 54205463
N,N-dimethylpyridin-4-amine
CID 14284
3-amino-N,2,2-trimethyl-N-pyridin-4-yl-3-sulfanylidenepropanamide
CID 106935793
N-methyl-N-pyridin-4-ylpropanamide
CID 59710602
tris(N,N-dimethylpyridin-4-amine);trihydrobromide
CID 68567794
N,N-dimethylpyridin-4-amine;terbium
CID 21052224
zinc;N,N-dimethylpyridin-4-amine;dichloride
CID 175706220
3-hydroxy-N-methyl-N-pyridin-4-ylpropanamide
CID 90892089
lithium;N,N-dimethylpyridin-4-amine;hydroxide
CID 174914031
1-methyl-1-pyridin-4-ylhydrazine;dihydrochloride
CID 45074909
2-bromo-N,3-dimethyl-N-pyridin-4-ylbutanamide
CID 106934733
4-hydroxy-N-methyl-N-pyridin-4-ylbutanamide
CID 106937601

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pyridin-4-ylcarbamodithioate?
The IUPAC name of N-methyl-N-pyridin-4-ylcarbamodithioate (CID 58035970) is N-methyl-N-pyridin-4-ylcarbamodithioate.
What is the SMILES notation for N-methyl-N-pyridin-4-ylcarbamodithioate?
The canonical SMILES for N-methyl-N-pyridin-4-ylcarbamodithioate is CN(C(=S)[S-])c1ccncc1.
What is the InChIKey of N-methyl-N-pyridin-4-ylcarbamodithioate?
The InChIKey is KVJKNFWDRRHZLP-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N2S2/c1-9(7(10)11)6-2-4-8-5-3-6/h2-5H,1H3,(H,10,11)/p-1.
What are the key properties of N-methyl-N-pyridin-4-ylcarbamodithioate?
N-methyl-N-pyridin-4-ylcarbamodithioate has a molecular weight of 183.28 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pyridin-4-ylcarbamodithioate is sourced from PubChem (CID 58035970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).