CID 5358115

C3H6NS2 — CID 5358115

IUPAC—
SMILESCN(C)C([S])=S
InChIInChI=1S/C3H6NS2/c1-4(2)3(5)6/h1-2H3
InChIKeyJBNMGGBINHYZCG-UHFFFAOYSA-N
MW120.22 g/mol
LogP1.03
Rot. Bonds

About CID 5358115

CID 5358115 (PubChem CID 5358115) has the molecular formula C3H6NS2 and a molecular weight of 120.22 g/mol.

Molecular Properties

Compound NameCID 5358115
PubChem CID5358115
Molecular FormulaC3H6NS2
Molecular Weight120.22 g/mol
Exact Mass119.99
IUPAC Name—
SMILESCN(C)C([S])=S
InChIInChI=1S/C3H6NS2/c1-4(2)3(5)6/h1-2H3
InChIKeyJBNMGGBINHYZCG-UHFFFAOYSA-N
XLogP1.03
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 5358115?
The IUPAC name of CID 5358115 (CID 5358115) is not available.
What is the SMILES notation for CID 5358115?
The canonical SMILES for CID 5358115 is CN(C)C([S])=S.
What is the InChIKey of CID 5358115?
The InChIKey is JBNMGGBINHYZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NS2/c1-4(2)3(5)6/h1-2H3.
What are the key properties of CID 5358115?
CID 5358115 has a molecular weight of 120.22 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5358115 is sourced from PubChem (CID 5358115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).