CID 57084553

C4H7BS2 — CID 57084553

IUPAC—
SMILES[B]C1SCCCS1
InChIInChI=1S/C4H7BS2/c5-4-6-2-1-3-7-4/h4H,1-3H2
InChIKeyJCAHHOPEJSFWTH-UHFFFAOYSA-N
MW130.05 g/mol
LogP1.31
Rot. Bonds

About CID 57084553

CID 57084553 (PubChem CID 57084553) has the molecular formula C4H7BS2 and a molecular weight of 130.05 g/mol.

Molecular Properties

Compound NameCID 57084553
PubChem CID57084553
Molecular FormulaC4H7BS2
Molecular Weight130.05 g/mol
Exact Mass130.01
IUPAC Name—
SMILES[B]C1SCCCS1
InChIInChI=1S/C4H7BS2/c5-4-6-2-1-3-7-4/h4H,1-3H2
InChIKeyJCAHHOPEJSFWTH-UHFFFAOYSA-N
XLogP1.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.05
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 57084553?
The IUPAC name of CID 57084553 (CID 57084553) is not available.
What is the SMILES notation for CID 57084553?
The canonical SMILES for CID 57084553 is [B]C1SCCCS1.
What is the InChIKey of CID 57084553?
The InChIKey is JCAHHOPEJSFWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7BS2/c5-4-6-2-1-3-7-4/h4H,1-3H2.
What are the key properties of CID 57084553?
CID 57084553 has a molecular weight of 130.05 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57084553 is sourced from PubChem (CID 57084553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).