methylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate

C13H31F3O3SSi — CID 173237054

IUPACmethylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate
SMILESCC(C)[SiH](C(C)C)C(C)C.CSC.O.O=C(O)C(F)(F)F
InChIInChI=1S/C9H22Si.C2HF3O2.C2H6S.H2O/c1-7(2)10(8(3)4)9(5)6;3-2(4,5)1(6)7;1-3-2;/h7-10H,1-6H3;(H,6,7);1-2H3;1H2
InChIKeyCJPRDBOBMRVDJC-UHFFFAOYSA-N
MW352.54 g/mol
LogP4.23
Rot. Bonds3

About methylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate

methylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate (PubChem CID 173237054) has the molecular formula C13H31F3O3SSi and a molecular weight of 352.54 g/mol. Its IUPAC name is methylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate.

Molecular Properties

Compound Namemethylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate
PubChem CID173237054
Molecular FormulaC13H31F3O3SSi
Molecular Weight352.54 g/mol
Exact Mass352.17
IUPAC Namemethylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate
SMILESCC(C)[SiH](C(C)C)C(C)C.CSC.O.O=C(O)C(F)(F)F
InChIInChI=1S/C9H22Si.C2HF3O2.C2H6S.H2O/c1-7(2)10(8(3)4)9(5)6;3-2(4,5)1(6)7;1-3-2;/h7-10H,1-6H3;(H,6,7);1-2H3;1H2
InChIKeyCJPRDBOBMRVDJC-UHFFFAOYSA-N
XLogP4.23
TPSA68.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.54
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate?
The IUPAC name of methylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate (CID 173237054) is methylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate.
What is the SMILES notation for methylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate?
The canonical SMILES for methylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate is CC(C)[SiH](C(C)C)C(C)C.CSC.O.O=C(O)C(F)(F)F.
What is the InChIKey of methylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate?
The InChIKey is CJPRDBOBMRVDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22Si.C2HF3O2.C2H6S.H2O/c1-7(2)10(8(3)4)9(5)6;3-2(4,5)1(6)7;1-3-2;/h7-10H,1-6H3;(H,6,7);1-2H3;1H2.
What are the key properties of methylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate?
methylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate has a molecular weight of 352.54 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylmethane;2,2,2-trifluoroacetic acid;tri(propan-2-yl)silane;hydrate is sourced from PubChem (CID 173237054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).