CID 164679965

C5H7NS — CID 164679965

IUPAC—
SMILESCCN1[C]SC=C1
InChIInChI=1S/C5H7NS/c1-2-6-3-4-7-5-6/h3-4H,2H2,1H3
InChIKeyUVOMNKAUKNLODF-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.52
Rot. Bonds1

About CID 164679965

CID 164679965 (PubChem CID 164679965) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol.

Molecular Properties

Compound NameCID 164679965
PubChem CID164679965
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name—
SMILESCCN1[C]SC=C1
InChIInChI=1S/C5H7NS/c1-2-6-3-4-7-5-6/h3-4H,2H2,1H3
InChIKeyUVOMNKAUKNLODF-UHFFFAOYSA-N
XLogP1.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 164679965?
The IUPAC name of CID 164679965 (CID 164679965) is not available.
What is the SMILES notation for CID 164679965?
The canonical SMILES for CID 164679965 is CCN1[C]SC=C1.
What is the InChIKey of CID 164679965?
The InChIKey is UVOMNKAUKNLODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-2-6-3-4-7-5-6/h3-4H,2H2,1H3.
What are the key properties of CID 164679965?
CID 164679965 has a molecular weight of 113.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164679965 is sourced from PubChem (CID 164679965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).