4-methoxybutane-2-sulfinyl chloride

C5H11ClO2S — CID 165452607

IUPAC4-methoxybutane-2-sulfinyl chloride
SMILESCOCCC(C)S(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-5(9(6)7)3-4-8-2/h5H,3-4H2,1-2H3
InChIKeyCTMBEXAXNSVKEF-UHFFFAOYSA-N
MW170.66 g/mol
LogP1.31
Rot. Bonds4

About 4-methoxybutane-2-sulfinyl chloride

4-methoxybutane-2-sulfinyl chloride (PubChem CID 165452607) has the molecular formula C5H11ClO2S and a molecular weight of 170.66 g/mol. Its IUPAC name is 4-methoxybutane-2-sulfinyl chloride.

Molecular Properties

Compound Name4-methoxybutane-2-sulfinyl chloride
PubChem CID165452607
Molecular FormulaC5H11ClO2S
Molecular Weight170.66 g/mol
Exact Mass170.02
IUPAC Name4-methoxybutane-2-sulfinyl chloride
SMILESCOCCC(C)S(=O)Cl
InChIInChI=1S/C5H11ClO2S/c1-5(9(6)7)3-4-8-2/h5H,3-4H2,1-2H3
InChIKeyCTMBEXAXNSVKEF-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.66
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxybutane-2-sulfinic acid
CID 165449542
ethane;1-methoxy-3-methylbutane
CID 144580604
3-methoxy-2-methylpropane-1-sulfinyl chloride
CID 165459514
carbonic acid;3-chloro-1-methoxybutane
CID 86749865
3-(3-methoxypropylsulfinyl)butan-1-amine
CID 81193382
4-fluoro-2-(4-methoxybutan-2-ylsulfinyl)aniline
CID 116500568
3-(1-chloroethyl)-1-methoxy-4-methylpentane
CID 62914980
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
dipropan-2-yl 2-(4-methoxybutan-2-yl)propanedioate
CID 116500640
(4-methoxy-2-methylbutyl) 4-methylpentyl sulfite
CID 6421003
1-methoxy-3-methylbutane;2-methylbutane;2-methylpropane
CID 158816620
2-methoxyethyl sulfite
CID 54514151

Frequently Asked Questions

What is the IUPAC name of 4-methoxybutane-2-sulfinyl chloride?
The IUPAC name of 4-methoxybutane-2-sulfinyl chloride (CID 165452607) is 4-methoxybutane-2-sulfinyl chloride.
What is the SMILES notation for 4-methoxybutane-2-sulfinyl chloride?
The canonical SMILES for 4-methoxybutane-2-sulfinyl chloride is COCCC(C)S(=O)Cl.
What is the InChIKey of 4-methoxybutane-2-sulfinyl chloride?
The InChIKey is CTMBEXAXNSVKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11ClO2S/c1-5(9(6)7)3-4-8-2/h5H,3-4H2,1-2H3.
What are the key properties of 4-methoxybutane-2-sulfinyl chloride?
4-methoxybutane-2-sulfinyl chloride has a molecular weight of 170.66 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutane-2-sulfinyl chloride is sourced from PubChem (CID 165452607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).