[chloro(dimethyl)silyl]methanethiol

C3H9ClSSi — CID 87930706

IUPAC[chloro(dimethyl)silyl]methanethiol
SMILESC[Si](C)(Cl)CS
InChIInChI=1S/C3H9ClSSi/c1-6(2,4)3-5/h5H,3H2,1-2H3
InChIKeyABNFTJZZXXRTLY-UHFFFAOYSA-N
MW140.71 g/mol
LogP1.90
Rot. Bonds1

About [chloro(dimethyl)silyl]methanethiol

[chloro(dimethyl)silyl]methanethiol (PubChem CID 87930706) has the molecular formula C3H9ClSSi and a molecular weight of 140.71 g/mol. Its IUPAC name is [chloro(dimethyl)silyl]methanethiol.

Molecular Properties

Compound Name[chloro(dimethyl)silyl]methanethiol
PubChem CID87930706
Molecular FormulaC3H9ClSSi
Molecular Weight140.71 g/mol
Exact Mass139.99
IUPAC Name[chloro(dimethyl)silyl]methanethiol
SMILESC[Si](C)(Cl)CS
InChIInChI=1S/C3H9ClSSi/c1-6(2,4)3-5/h5H,3H2,1-2H3
InChIKeyABNFTJZZXXRTLY-UHFFFAOYSA-N
XLogP1.90
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.71
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [chloro(dimethyl)silyl]methanethiol?
The IUPAC name of [chloro(dimethyl)silyl]methanethiol (CID 87930706) is [chloro(dimethyl)silyl]methanethiol.
What is the SMILES notation for [chloro(dimethyl)silyl]methanethiol?
The canonical SMILES for [chloro(dimethyl)silyl]methanethiol is C[Si](C)(Cl)CS.
What is the InChIKey of [chloro(dimethyl)silyl]methanethiol?
The InChIKey is ABNFTJZZXXRTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9ClSSi/c1-6(2,4)3-5/h5H,3H2,1-2H3.
What are the key properties of [chloro(dimethyl)silyl]methanethiol?
[chloro(dimethyl)silyl]methanethiol has a molecular weight of 140.71 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(dimethyl)silyl]methanethiol is sourced from PubChem (CID 87930706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).