(1,2-13C2)ethanethiol

C2H6S — CID 169439901

IUPAC(1,2-13C2)ethanethiol
SMILES[13CH3][13CH2]S
InChIInChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3/i1+1,2+1
InChIKeyDNJIEGIFACGWOD-ZDOIIHCHSA-N
MW64.12 g/mol
LogP0.94
Rot. Bonds

About (1,2-13C2)ethanethiol

(1,2-13C2)ethanethiol (PubChem CID 169439901) has the molecular formula C2H6S and a molecular weight of 64.12 g/mol. Its IUPAC name is (1,2-13C2)ethanethiol.

Molecular Properties

Compound Name(1,2-13C2)ethanethiol
PubChem CID169439901
Molecular FormulaC2H6S
Molecular Weight64.12 g/mol
Exact Mass64.03
IUPAC Name(1,2-13C2)ethanethiol
SMILES[13CH3][13CH2]S
InChIInChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3/i1+1,2+1
InChIKeyDNJIEGIFACGWOD-ZDOIIHCHSA-N
XLogP0.94
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50064.12
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;ethanethiol
CID 160845424
ethanethiol;tribromoalumane
CID 11324936
ethanethiol;methyl(sulfanylidene)borane
CID 90969784
ethanethiol;phosphoric acid
CID 175577772
ethane-1,2-dithiol;propane-1-thiol
CID 161052956
ethanesulfonic acid;ethanethiol
CID 22731724
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
ethane-1,2-dithiol;ethanol;propane
CID 90729745

Frequently Asked Questions

What is the IUPAC name of (1,2-13C2)ethanethiol?
The IUPAC name of (1,2-13C2)ethanethiol (CID 169439901) is (1,2-13C2)ethanethiol.
What is the SMILES notation for (1,2-13C2)ethanethiol?
The canonical SMILES for (1,2-13C2)ethanethiol is [13CH3][13CH2]S.
What is the InChIKey of (1,2-13C2)ethanethiol?
The InChIKey is DNJIEGIFACGWOD-ZDOIIHCHSA-N. The full InChI is InChI=1S/C2H6S/c1-2-3/h3H,2H2,1H3/i1+1,2+1.
What are the key properties of (1,2-13C2)ethanethiol?
(1,2-13C2)ethanethiol has a molecular weight of 64.12 g/mol, XLogP of 0.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-13C2)ethanethiol is sourced from PubChem (CID 169439901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).