CID 123303380

C5H11S- — CID 123303380

IUPAC—
SMILESC#[S-](CC)CC
InChIInChI=1S/C5H11S/c1-4-6(3)5-2/h3H,4-5H2,1-2H3/q-1
InChIKeyCKKCGKBDESAVPS-UHFFFAOYSA-N
MW103.21 g/mol
LogP1.23
Rot. Bonds

About CID 123303380

CID 123303380 (PubChem CID 123303380) has the molecular formula C5H11S- and a molecular weight of 103.21 g/mol.

Molecular Properties

Compound NameCID 123303380
PubChem CID123303380
Molecular FormulaC5H11S-
Molecular Weight103.21 g/mol
Exact Mass103.06
IUPAC Name—
SMILESC#[S-](CC)CC
InChIInChI=1S/C5H11S/c1-4-6(3)5-2/h3H,4-5H2,1-2H3/q-1
InChIKeyCKKCGKBDESAVPS-UHFFFAOYSA-N
XLogP1.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.21
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 123303380?
The IUPAC name of CID 123303380 (CID 123303380) is not available.
What is the SMILES notation for CID 123303380?
The canonical SMILES for CID 123303380 is C#[S-](CC)CC.
What is the InChIKey of CID 123303380?
The InChIKey is CKKCGKBDESAVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11S/c1-4-6(3)5-2/h3H,4-5H2,1-2H3/q-1.
What are the key properties of CID 123303380?
CID 123303380 has a molecular weight of 103.21 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123303380 is sourced from PubChem (CID 123303380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).