methyl N-(cyclohexylideneamino)carbamodithioate

C8H14N2S2 — CID 2830668

IUPACmethyl N-(cyclohexylideneamino)carbamodithioate
SMILESCSC(=S)NN=C1CCCCC1
InChIInChI=1S/C8H14N2S2/c1-12-8(11)10-9-7-5-3-2-4-6-7/h2-6H2,1H3,(H,10,11)
InChIKeySXFQFCCHISQZPU-UHFFFAOYSA-N
MW202.35 g/mol
LogP2.54
Rot. Bonds1

About methyl N-(cyclohexylideneamino)carbamodithioate

methyl N-(cyclohexylideneamino)carbamodithioate (PubChem CID 2830668) has the molecular formula C8H14N2S2 and a molecular weight of 202.35 g/mol. Its IUPAC name is methyl N-(cyclohexylideneamino)carbamodithioate.

Molecular Properties

Compound Namemethyl N-(cyclohexylideneamino)carbamodithioate
PubChem CID2830668
Molecular FormulaC8H14N2S2
Molecular Weight202.35 g/mol
Exact Mass202.06
IUPAC Namemethyl N-(cyclohexylideneamino)carbamodithioate
SMILESCSC(=S)NN=C1CCCCC1
InChIInChI=1S/C8H14N2S2/c1-12-8(11)10-9-7-5-3-2-4-6-7/h2-6H2,1H3,(H,10,11)
InChIKeySXFQFCCHISQZPU-UHFFFAOYSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(cyclohexylideneamino)carbamodithioate?
The IUPAC name of methyl N-(cyclohexylideneamino)carbamodithioate (CID 2830668) is methyl N-(cyclohexylideneamino)carbamodithioate.
What is the SMILES notation for methyl N-(cyclohexylideneamino)carbamodithioate?
The canonical SMILES for methyl N-(cyclohexylideneamino)carbamodithioate is CSC(=S)NN=C1CCCCC1.
What is the InChIKey of methyl N-(cyclohexylideneamino)carbamodithioate?
The InChIKey is SXFQFCCHISQZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S2/c1-12-8(11)10-9-7-5-3-2-4-6-7/h2-6H2,1H3,(H,10,11).
What are the key properties of methyl N-(cyclohexylideneamino)carbamodithioate?
methyl N-(cyclohexylideneamino)carbamodithioate has a molecular weight of 202.35 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(cyclohexylideneamino)carbamodithioate is sourced from PubChem (CID 2830668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).