ethanethiol;methyl(sulfanylidene)borane

C3H9BS2 — CID 90969784

IUPACethanethiol;methyl(sulfanylidene)borane
SMILESCB=S.CCS
InChIInChI=1S/C2H6S.CH3BS/c2*1-2-3/h3H,2H2,1H3;1H3
InChIKeyMHHPDKOLTNGHNP-UHFFFAOYSA-N
MW120.05 g/mol
LogP1.79
Rot. Bonds

About ethanethiol;methyl(sulfanylidene)borane

ethanethiol;methyl(sulfanylidene)borane (PubChem CID 90969784) has the molecular formula C3H9BS2 and a molecular weight of 120.05 g/mol. Its IUPAC name is ethanethiol;methyl(sulfanylidene)borane.

Molecular Properties

Compound Nameethanethiol;methyl(sulfanylidene)borane
PubChem CID90969784
Molecular FormulaC3H9BS2
Molecular Weight120.05 g/mol
Exact Mass120.02
IUPAC Nameethanethiol;methyl(sulfanylidene)borane
SMILESCB=S.CCS
InChIInChI=1S/C2H6S.CH3BS/c2*1-2-3/h3H,2H2,1H3;1H3
InChIKeyMHHPDKOLTNGHNP-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.05
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1,2-13C2)ethanethiol
CID 169439901
ethane-1,2-diol;ethanethiol
CID 160845424
ethanethiol;tribromoalumane
CID 11324936
ethanethiol;phosphoric acid
CID 175577772
ethane-1,2-dithiol;propane-1-thiol
CID 161052956
ethanesulfonic acid;ethanethiol
CID 22731724
ethylsulfinothioylmethanethiol
CID 118518085
sodium;ethanethiol;hydride;sulfuric acid
CID 173063169
ethanethiolate;sulfanylmethanethiolate;yttrium
CID 59876608
diethoxy(methyl)silane;ethanethiol
CID 174413164
1,3-dithiole;ethanethiol
CID 175089373
ethanamine;ethanethiol;sulfuric acid
CID 175094408

Frequently Asked Questions

What is the IUPAC name of ethanethiol;methyl(sulfanylidene)borane?
The IUPAC name of ethanethiol;methyl(sulfanylidene)borane (CID 90969784) is ethanethiol;methyl(sulfanylidene)borane.
What is the SMILES notation for ethanethiol;methyl(sulfanylidene)borane?
The canonical SMILES for ethanethiol;methyl(sulfanylidene)borane is CB=S.CCS.
What is the InChIKey of ethanethiol;methyl(sulfanylidene)borane?
The InChIKey is MHHPDKOLTNGHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6S.CH3BS/c2*1-2-3/h3H,2H2,1H3;1H3.
What are the key properties of ethanethiol;methyl(sulfanylidene)borane?
ethanethiol;methyl(sulfanylidene)borane has a molecular weight of 120.05 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanethiol;methyl(sulfanylidene)borane is sourced from PubChem (CID 90969784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).