N-(ethylamino)methanethioamide

C3H8N2S — CID 20506708

IUPACN-(ethylamino)methanethioamide
SMILESCCNNC=S
InChIInChI=1S/C3H8N2S/c1-2-4-5-3-6/h3-4H,2H2,1H3,(H,5,6)
InChIKeyOSELGWJMJFDCCZ-UHFFFAOYSA-N
MW104.18 g/mol
LogP0.06
Rot. Bonds3

About N-(ethylamino)methanethioamide

N-(ethylamino)methanethioamide (PubChem CID 20506708) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is N-(ethylamino)methanethioamide.

Molecular Properties

Compound NameN-(ethylamino)methanethioamide
PubChem CID20506708
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC NameN-(ethylamino)methanethioamide
SMILESCCNNC=S
InChIInChI=1S/C3H8N2S/c1-2-4-5-3-6/h3-4H,2H2,1H3,(H,5,6)
InChIKeyOSELGWJMJFDCCZ-UHFFFAOYSA-N
XLogP0.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N-(ethylamino)methanethioamide?
The IUPAC name of N-(ethylamino)methanethioamide (CID 20506708) is N-(ethylamino)methanethioamide.
What is the SMILES notation for N-(ethylamino)methanethioamide?
The canonical SMILES for N-(ethylamino)methanethioamide is CCNNC=S.
What is the InChIKey of N-(ethylamino)methanethioamide?
The InChIKey is OSELGWJMJFDCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S/c1-2-4-5-3-6/h3-4H,2H2,1H3,(H,5,6).
What are the key properties of N-(ethylamino)methanethioamide?
N-(ethylamino)methanethioamide has a molecular weight of 104.18 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylamino)methanethioamide is sourced from PubChem (CID 20506708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).