methane;methyl(sulfanylidene)borane

C2H7BS — CID 158314625

IUPACmethane;methyl(sulfanylidene)borane
SMILESC.CB=S
InChIInChI=1S/CH3BS.CH4/c1-2-3;/h1H3;1H4
InChIKeyGOCMRGGGWOTIET-UHFFFAOYSA-N
MW73.96 g/mol
LogP1.49
Rot. Bonds

About methane;methyl(sulfanylidene)borane

methane;methyl(sulfanylidene)borane (PubChem CID 158314625) has the molecular formula C2H7BS and a molecular weight of 73.96 g/mol. Its IUPAC name is methane;methyl(sulfanylidene)borane.

Molecular Properties

Compound Namemethane;methyl(sulfanylidene)borane
PubChem CID158314625
Molecular FormulaC2H7BS
Molecular Weight73.96 g/mol
Exact Mass74.04
IUPAC Namemethane;methyl(sulfanylidene)borane
SMILESC.CB=S
InChIInChI=1S/CH3BS.CH4/c1-2-3;/h1H3;1H4
InChIKeyGOCMRGGGWOTIET-UHFFFAOYSA-N
XLogP1.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.96
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethanethiol;methyl(sulfanylidene)borane
CID 90969784
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ethane;methane
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ethane;methane
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ethane;methane
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ethane;methane
CID 159981961
ethane;methane
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ethane;methane
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CID 174754084

Frequently Asked Questions

What is the IUPAC name of methane;methyl(sulfanylidene)borane?
The IUPAC name of methane;methyl(sulfanylidene)borane (CID 158314625) is methane;methyl(sulfanylidene)borane.
What is the SMILES notation for methane;methyl(sulfanylidene)borane?
The canonical SMILES for methane;methyl(sulfanylidene)borane is C.CB=S.
What is the InChIKey of methane;methyl(sulfanylidene)borane?
The InChIKey is GOCMRGGGWOTIET-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3BS.CH4/c1-2-3;/h1H3;1H4.
What are the key properties of methane;methyl(sulfanylidene)borane?
methane;methyl(sulfanylidene)borane has a molecular weight of 73.96 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl(sulfanylidene)borane is sourced from PubChem (CID 158314625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).