1-chloro-1-methylsulfanylcyclopropane

C4H7ClS — CID 12678389

IUPAC1-chloro-1-methylsulfanylcyclopropane
SMILESCSC1(Cl)CC1
InChIInChI=1S/C4H7ClS/c1-6-4(5)2-3-4/h2-3H2,1H3
InChIKeyIIUJCDTVYGHHMU-UHFFFAOYSA-N
MW122.62 g/mol
LogP2.08
Rot. Bonds1

About 1-chloro-1-methylsulfanylcyclopropane

1-chloro-1-methylsulfanylcyclopropane (PubChem CID 12678389) has the molecular formula C4H7ClS and a molecular weight of 122.62 g/mol. Its IUPAC name is 1-chloro-1-methylsulfanylcyclopropane.

Molecular Properties

Compound Name1-chloro-1-methylsulfanylcyclopropane
PubChem CID12678389
Molecular FormulaC4H7ClS
Molecular Weight122.62 g/mol
Exact Mass122.00
IUPAC Name1-chloro-1-methylsulfanylcyclopropane
SMILESCSC1(Cl)CC1
InChIInChI=1S/C4H7ClS/c1-6-4(5)2-3-4/h2-3H2,1H3
InChIKeyIIUJCDTVYGHHMU-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.62
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methylsulfanylcyclopropan-1-amine
CID 117035876
1-methylsulfanylcyclopropane-1-carboxylic acid
CID 22102233
2-chloro-1,1,2,3-tetrafluoro-3-methylcyclobutane
CID 88700104
1,1-difluoro-4-(methylsulfanylmethyl)cyclohexane
CID 134254896
1-fluoro-1-methylcyclopropane
CID 18684623
2-chloro-2-methylspiro[2.2]pentane
CID 14316137
1-chloro-1-methylcyclotridecane
CID 71082065
1-methylsulfanylcyclopentane-1-carbaldehyde
CID 115011620
1-methylsulfanylcyclobutane-1-carbonitrile
CID 65130992
3-methyl-3-methylsulfanylthiolane
CID 167310175
(3S)-3-methyl-3-methylsulfanylpyrrolidine
CID 146248048
cis-(1S,6S)-2,2,6-trichloro-6-fluorocyclohexan-1-ol
CID 10376231

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-methylsulfanylcyclopropane?
The IUPAC name of 1-chloro-1-methylsulfanylcyclopropane (CID 12678389) is 1-chloro-1-methylsulfanylcyclopropane.
What is the SMILES notation for 1-chloro-1-methylsulfanylcyclopropane?
The canonical SMILES for 1-chloro-1-methylsulfanylcyclopropane is CSC1(Cl)CC1.
What is the InChIKey of 1-chloro-1-methylsulfanylcyclopropane?
The InChIKey is IIUJCDTVYGHHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClS/c1-6-4(5)2-3-4/h2-3H2,1H3.
What are the key properties of 1-chloro-1-methylsulfanylcyclopropane?
1-chloro-1-methylsulfanylcyclopropane has a molecular weight of 122.62 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-methylsulfanylcyclopropane is sourced from PubChem (CID 12678389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).