propan-2-ylsulfinylmethanethiol

C4H10OS2 — CID 146656946

IUPACpropan-2-ylsulfinylmethanethiol
SMILESCC(C)S(=O)CS
InChIInChI=1S/C4H10OS2/c1-4(2)7(5)3-6/h4,6H,3H2,1-2H3
InChIKeyAMJMWGNQUBEWPQ-UHFFFAOYSA-N
MW138.26 g/mol
LogP1.03
Rot. Bonds2

About propan-2-ylsulfinylmethanethiol

propan-2-ylsulfinylmethanethiol (PubChem CID 146656946) has the molecular formula C4H10OS2 and a molecular weight of 138.26 g/mol. Its IUPAC name is propan-2-ylsulfinylmethanethiol.

Molecular Properties

Compound Namepropan-2-ylsulfinylmethanethiol
PubChem CID146656946
Molecular FormulaC4H10OS2
Molecular Weight138.26 g/mol
Exact Mass138.02
IUPAC Namepropan-2-ylsulfinylmethanethiol
SMILESCC(C)S(=O)CS
InChIInChI=1S/C4H10OS2/c1-4(2)7(5)3-6/h4,6H,3H2,1-2H3
InChIKeyAMJMWGNQUBEWPQ-UHFFFAOYSA-N
XLogP1.03
TPSA17.07 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.26
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethylsulfinylpropane
CID 90763779
2-(2-chloroethylsulfinyl)propane
CID 55302794
propan-2-ylsulfinylmethanesulfinic acid
CID 89072296
3-propan-2-ylsulfinylpropanethioic S-acid
CID 88749489
N,N-dimethyl-2-propan-2-ylsulfinylethanamine
CID 123112524
2-sulfanylacetic acid;1-sulfanylethanol
CID 87683546
1-[(S)-propan-2-ylsulfinyl]decane
CID 10955441
2-propan-2-ylsulfinylpropane
CID 158857141
propan-2-ol;sulfur trioxide
CID 174853571
N-ethyl-1-propan-2-ylsulfinylpropan-2-amine
CID 64656204
1-propan-2-ylsulfanyl-3-propan-2-ylsulfinylpropane
CID 102006897
O-(3-propan-2-ylsulfinylpropyl)hydroxylamine
CID 130877889

Frequently Asked Questions

What is the IUPAC name of propan-2-ylsulfinylmethanethiol?
The IUPAC name of propan-2-ylsulfinylmethanethiol (CID 146656946) is propan-2-ylsulfinylmethanethiol.
What is the SMILES notation for propan-2-ylsulfinylmethanethiol?
The canonical SMILES for propan-2-ylsulfinylmethanethiol is CC(C)S(=O)CS.
What is the InChIKey of propan-2-ylsulfinylmethanethiol?
The InChIKey is AMJMWGNQUBEWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10OS2/c1-4(2)7(5)3-6/h4,6H,3H2,1-2H3.
What are the key properties of propan-2-ylsulfinylmethanethiol?
propan-2-ylsulfinylmethanethiol has a molecular weight of 138.26 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylsulfinylmethanethiol is sourced from PubChem (CID 146656946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).