CID 23374813

C9H20BS — CID 23374813

IUPAC—
SMILESCC(C)CCSC(C)(C)C.[B]
InChIInChI=1S/C9H20S.B/c1-8(2)6-7-10-9(3,4)5;/h8H,6-7H2,1-5H3;
InChIKeyNGARKOREHNVRLS-UHFFFAOYSA-N
MW171.14 g/mol
LogP3.18
Rot. Bonds3

About CID 23374813

CID 23374813 (PubChem CID 23374813) has the molecular formula C9H20BS and a molecular weight of 171.14 g/mol.

Molecular Properties

Compound NameCID 23374813
PubChem CID23374813
Molecular FormulaC9H20BS
Molecular Weight171.14 g/mol
Exact Mass171.14
IUPAC Name—
SMILESCC(C)CCSC(C)(C)C.[B]
InChIInChI=1S/C9H20S.B/c1-8(2)6-7-10-9(3,4)5;/h8H,6-7H2,1-5H3;
InChIKeyNGARKOREHNVRLS-UHFFFAOYSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.14
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 23374813?
The IUPAC name of CID 23374813 (CID 23374813) is not available.
What is the SMILES notation for CID 23374813?
The canonical SMILES for CID 23374813 is CC(C)CCSC(C)(C)C.[B].
What is the InChIKey of CID 23374813?
The InChIKey is NGARKOREHNVRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S.B/c1-8(2)6-7-10-9(3,4)5;/h8H,6-7H2,1-5H3;.
What are the key properties of CID 23374813?
CID 23374813 has a molecular weight of 171.14 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23374813 is sourced from PubChem (CID 23374813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).