CID 169432063

C10H13BNS — CID 169432063

IUPAC—
SMILES[B].[H]/N=C(\C)SC(C)c1ccccc1
InChIInChI=1S/C10H13NS.B/c1-8(12-9(2)11)10-6-4-3-5-7-10;/h3-8,11H,1-2H3;/b11-9+;
InChIKeyCZQMHGRWGLTDLC-LBEJWNQZSA-N
MW190.10 g/mol
LogP3.10
Rot. Bonds2

About CID 169432063

CID 169432063 (PubChem CID 169432063) has the molecular formula C10H13BNS and a molecular weight of 190.10 g/mol.

Molecular Properties

Compound NameCID 169432063
PubChem CID169432063
Molecular FormulaC10H13BNS
Molecular Weight190.10 g/mol
Exact Mass190.09
IUPAC Name—
SMILES[B].[H]/N=C(\C)SC(C)c1ccccc1
InChIInChI=1S/C10H13NS.B/c1-8(12-9(2)11)10-6-4-3-5-7-10;/h3-8,11H,1-2H3;/b11-9+;
InChIKeyCZQMHGRWGLTDLC-LBEJWNQZSA-N
XLogP3.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.10
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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CID 71330817
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CID 164914958
methyl (2R)-2-phenylpropanimidate
CID 92977760
[(1R)-1-phenylethyl] N,N-diethylcarbamodithioate
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(2S)-2-chloro-1-phenylpropan-1-ol
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(Z)-3-(1-phenylethylsulfanyl)pent-3-enoic acid
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cumene;hydrogen peroxide
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Frequently Asked Questions

What is the IUPAC name of CID 169432063?
The IUPAC name of CID 169432063 (CID 169432063) is not available.
What is the SMILES notation for CID 169432063?
The canonical SMILES for CID 169432063 is [B].[H]/N=C(\C)SC(C)c1ccccc1.
What is the InChIKey of CID 169432063?
The InChIKey is CZQMHGRWGLTDLC-LBEJWNQZSA-N. The full InChI is InChI=1S/C10H13NS.B/c1-8(12-9(2)11)10-6-4-3-5-7-10;/h3-8,11H,1-2H3;/b11-9+;.
What are the key properties of CID 169432063?
CID 169432063 has a molecular weight of 190.10 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169432063 is sourced from PubChem (CID 169432063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).