(2S)-2-(chloromethyl)thiirane

C3H5ClS — CID 7157115

IUPAC(2S)-2-(chloromethyl)thiirane
SMILESClC[C@@H]1CS1
InChIInChI=1S/C3H5ClS/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1
InChIKeyXRWMHJJHPQTTLQ-GSVOUGTGSA-N
MW108.59 g/mol
LogP1.34
Rot. Bonds1

About (2S)-2-(chloromethyl)thiirane

(2S)-2-(chloromethyl)thiirane (PubChem CID 7157115) has the molecular formula C3H5ClS and a molecular weight of 108.59 g/mol. Its IUPAC name is (2S)-2-(chloromethyl)thiirane.

Molecular Properties

Compound Name(2S)-2-(chloromethyl)thiirane
PubChem CID7157115
Molecular FormulaC3H5ClS
Molecular Weight108.59 g/mol
Exact Mass107.98
IUPAC Name(2S)-2-(chloromethyl)thiirane
SMILESClC[C@@H]1CS1
InChIInChI=1S/C3H5ClS/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1
InChIKeyXRWMHJJHPQTTLQ-GSVOUGTGSA-N
XLogP1.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.59
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(chloromethyl)-1,4-dithiane
CID 14743132
(2R,3R)-2,3-bis(chloromethyl)-1,4-dithiane
CID 14568550
[5-(hydroxymethyl)-1,4-dithian-2-yl]methanol
CID 22237254
2-[[3,5-bis(thiiran-2-ylmethyl)cyclohexyl]methyl]thiirane
CID 87707235
(3S,5R,8R)-3-(chloromethyl)-8-methyl-1,4,6,9-tetrathiaspiro[4.4]nonane
CID 59341505
2-(methoxymethyl)thiirane
CID 29837
2-(thiiran-2-yl)acetaldehyde
CID 173123959
2-(thiiran-2-yl)ethane-1,1-diselenol
CID 174438951
2-chlorothiirane
CID 11240430
2-[[3-(thiiran-2-ylmethyl)cyclopentyl]methyl]thiirane
CID 87706863
2-(chloromethyl)-1,3-dithiane;methane
CID 158007481
2-[[[(thiiran-2-ylmethyldisulfanyl)methyldisulfanyl]methyldisulfanyl]methyl]thiirane
CID 122441293

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(chloromethyl)thiirane?
The IUPAC name of (2S)-2-(chloromethyl)thiirane (CID 7157115) is (2S)-2-(chloromethyl)thiirane.
What is the SMILES notation for (2S)-2-(chloromethyl)thiirane?
The canonical SMILES for (2S)-2-(chloromethyl)thiirane is ClC[C@@H]1CS1.
What is the InChIKey of (2S)-2-(chloromethyl)thiirane?
The InChIKey is XRWMHJJHPQTTLQ-GSVOUGTGSA-N. The full InChI is InChI=1S/C3H5ClS/c4-1-3-2-5-3/h3H,1-2H2/t3-/m1/s1.
What are the key properties of (2S)-2-(chloromethyl)thiirane?
(2S)-2-(chloromethyl)thiirane has a molecular weight of 108.59 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(chloromethyl)thiirane is sourced from PubChem (CID 7157115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).