3-methylbutane-2-sulfinyl chloride

C5H11ClOS — CID 134877173

IUPAC3-methylbutane-2-sulfinyl chloride
SMILESCC(C)C(C)S(=O)Cl
InChIInChI=1S/C5H11ClOS/c1-4(2)5(3)8(6)7/h4-5H,1-3H3
InChIKeyOVPJOZVVOZGDFC-UHFFFAOYSA-N
MW154.66 g/mol
LogP1.93
Rot. Bonds2

About 3-methylbutane-2-sulfinyl chloride

3-methylbutane-2-sulfinyl chloride (PubChem CID 134877173) has the molecular formula C5H11ClOS and a molecular weight of 154.66 g/mol. Its IUPAC name is 3-methylbutane-2-sulfinyl chloride.

Molecular Properties

Compound Name3-methylbutane-2-sulfinyl chloride
PubChem CID134877173
Molecular FormulaC5H11ClOS
Molecular Weight154.66 g/mol
Exact Mass154.02
IUPAC Name3-methylbutane-2-sulfinyl chloride
SMILESCC(C)C(C)S(=O)Cl
InChIInChI=1S/C5H11ClOS/c1-4(2)5(3)8(6)7/h4-5H,1-3H3
InChIKeyOVPJOZVVOZGDFC-UHFFFAOYSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.66
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methylbutane-1-sulfonyl chloride
CID 12933327
2-Methylpropane-1-sulfinyl chloride
CID 15262188
2-Methylbutane-1-sulfonyl chloride
CID 20532502
3-Methylbutane-2-sulfonyl chloride
CID 21354490
1-Butanesulfinyl chloride
CID 11073517
2,2-Dimethylpropane-1-sulfinyl chloride
CID 12861209
Butane-2-sulfinyl chloride
CID 13699962
3,3-Dimethylbutane-2-sulfinyl chloride
CID 134894585
3-Methylbutane-1-sulfinate
CID 18467553
2-Methylpropane-1-sulfinyl bromide
CID 21408601
2-Methylbutane-1-sulfinate
CID 22219522
3-Methylbutane-2-sulfinate
CID 57311833

Frequently Asked Questions

What is the IUPAC name of 3-methylbutane-2-sulfinyl chloride?
The IUPAC name of 3-methylbutane-2-sulfinyl chloride (CID 134877173) is 3-methylbutane-2-sulfinyl chloride.
What is the SMILES notation for 3-methylbutane-2-sulfinyl chloride?
The canonical SMILES for 3-methylbutane-2-sulfinyl chloride is CC(C)C(C)S(=O)Cl.
What is the InChIKey of 3-methylbutane-2-sulfinyl chloride?
The InChIKey is OVPJOZVVOZGDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClOS/c1-4(2)5(3)8(6)7/h4-5H,1-3H3.
What are the key properties of 3-methylbutane-2-sulfinyl chloride?
3-methylbutane-2-sulfinyl chloride has a molecular weight of 154.66 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutane-2-sulfinyl chloride is sourced from PubChem (CID 134877173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).