3,6-dihydro-2H-thiopyran-5-carbonitrile

C6H7NS — CID 89463642

IUPAC3,6-dihydro-2H-thiopyran-5-carbonitrile
SMILESN#CC1=CCCSC1
InChIInChI=1S/C6H7NS/c7-4-6-2-1-3-8-5-6/h2H,1,3,5H2
InChIKeyNPADHEQHONJCPC-UHFFFAOYSA-N
MW125.20 g/mol
LogP1.57
Rot. Bonds

About 3,6-dihydro-2H-thiopyran-5-carbonitrile

3,6-dihydro-2H-thiopyran-5-carbonitrile (PubChem CID 89463642) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is 3,6-dihydro-2H-thiopyran-5-carbonitrile.

Molecular Properties

Compound Name3,6-dihydro-2H-thiopyran-5-carbonitrile
PubChem CID89463642
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name3,6-dihydro-2H-thiopyran-5-carbonitrile
SMILESN#CC1=CCCSC1
InChIInChI=1S/C6H7NS/c7-4-6-2-1-3-8-5-6/h2H,1,3,5H2
InChIKeyNPADHEQHONJCPC-UHFFFAOYSA-N
XLogP1.57
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-thiopyran-5-carbonitrile?
The IUPAC name of 3,6-dihydro-2H-thiopyran-5-carbonitrile (CID 89463642) is 3,6-dihydro-2H-thiopyran-5-carbonitrile.
What is the SMILES notation for 3,6-dihydro-2H-thiopyran-5-carbonitrile?
The canonical SMILES for 3,6-dihydro-2H-thiopyran-5-carbonitrile is N#CC1=CCCSC1.
What is the InChIKey of 3,6-dihydro-2H-thiopyran-5-carbonitrile?
The InChIKey is NPADHEQHONJCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS/c7-4-6-2-1-3-8-5-6/h2H,1,3,5H2.
What are the key properties of 3,6-dihydro-2H-thiopyran-5-carbonitrile?
3,6-dihydro-2H-thiopyran-5-carbonitrile has a molecular weight of 125.20 g/mol, XLogP of 1.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-thiopyran-5-carbonitrile is sourced from PubChem (CID 89463642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).