CID 157375712

CH3BNS2 — CID 157375712

IUPAC—
SMILESNC(=S)S.[B]
InChIInChI=1S/CH3NS2.B/c2-1(3)4;/h(H3,2,3,4);
InChIKeyBKHOHTFGGSMUBC-UHFFFAOYSA-N
MW103.99 g/mol
LogP-0.22
Rot. Bonds

About CID 157375712

CID 157375712 (PubChem CID 157375712) has the molecular formula CH3BNS2 and a molecular weight of 103.99 g/mol.

Molecular Properties

Compound NameCID 157375712
PubChem CID157375712
Molecular FormulaCH3BNS2
Molecular Weight103.99 g/mol
Exact Mass103.98
IUPAC Name—
SMILESNC(=S)S.[B]
InChIInChI=1S/CH3NS2.B/c2-1(3)4;/h(H3,2,3,4);
InChIKeyBKHOHTFGGSMUBC-UHFFFAOYSA-N
XLogP-0.22
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.99
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze CID 157375712 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 157375712?
The IUPAC name of CID 157375712 (CID 157375712) is not available.
What is the SMILES notation for CID 157375712?
The canonical SMILES for CID 157375712 is NC(=S)S.[B].
What is the InChIKey of CID 157375712?
The InChIKey is BKHOHTFGGSMUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3NS2.B/c2-1(3)4;/h(H3,2,3,4);.
What are the key properties of CID 157375712?
CID 157375712 has a molecular weight of 103.99 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157375712 is sourced from PubChem (CID 157375712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).