CID 58679583

C6H11NS — CID 58679583

IUPAC—
SMILES[CH]N1CCSCC1C
InChIInChI=1S/C6H11NS/c1-6-5-8-4-3-7(6)2/h2,6H,3-5H2,1H3
InChIKeyMPISNRPPLAMNFU-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.09
Rot. Bonds

About CID 58679583

CID 58679583 (PubChem CID 58679583) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol.

Molecular Properties

Compound NameCID 58679583
PubChem CID58679583
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name—
SMILES[CH]N1CCSCC1C
InChIInChI=1S/C6H11NS/c1-6-5-8-4-3-7(6)2/h2,6H,3-5H2,1H3
InChIKeyMPISNRPPLAMNFU-UHFFFAOYSA-N
XLogP1.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58679583?
The IUPAC name of CID 58679583 (CID 58679583) is not available.
What is the SMILES notation for CID 58679583?
The canonical SMILES for CID 58679583 is [CH]N1CCSCC1C.
What is the InChIKey of CID 58679583?
The InChIKey is MPISNRPPLAMNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-6-5-8-4-3-7(6)2/h2,6H,3-5H2,1H3.
What are the key properties of CID 58679583?
CID 58679583 has a molecular weight of 129.23 g/mol, XLogP of 1.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58679583 is sourced from PubChem (CID 58679583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).