[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol

C12H23NOSSi — CID 91214846

IUPAC[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(CS)[nH]1
InChIInChI=1S/C12H23NOSSi/c1-12(2,3)16(4,5)14-8-10-6-7-11(9-15)13-10/h6-7,13,15H,8-9H2,1-5H3
InChIKeyMRSCVZWRGWDYMS-UHFFFAOYSA-N
MW257.47 g/mol
LogP3.97
Rot. Bonds4

About [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol

[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol (PubChem CID 91214846) has the molecular formula C12H23NOSSi and a molecular weight of 257.47 g/mol. Its IUPAC name is [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol.

Molecular Properties

Compound Name[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol
PubChem CID91214846
Molecular FormulaC12H23NOSSi
Molecular Weight257.47 g/mol
Exact Mass257.13
IUPAC Name[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol
SMILESCC(C)(C)[Si](C)(C)OCc1ccc(CS)[nH]1
InChIInChI=1S/C12H23NOSSi/c1-12(2,3)16(4,5)14-8-10-6-7-11(9-15)13-10/h6-7,13,15H,8-9H2,1-5H3
InChIKeyMRSCVZWRGWDYMS-UHFFFAOYSA-N
XLogP3.97
TPSA25.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-1H-pyrrolo[3,2-b]pyridin-2-yl)methoxy-tert-butyl-dimethylsilane
CID 154639223
tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
tert-butyl-[(4-tert-butylphenyl)methoxy]-dimethylsilane
CID 101140446
(4-bromophenyl)methoxy-tert-butyl-dimethylsilane
CID 10859583
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
tert-butyl-[(4-iodophenyl)methoxy]-dimethylsilane
CID 10020633
lithium tert-butyl-[(4-chlorobenzene-6-id-1-yl)methoxy]-dimethylsilane
CID 153432530
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]thiophen-3-yl]methoxy]-dimethylsilane
CID 10690703
tert-butyl-dimethyl-(1H-1,2,4-triazol-5-ylmethoxy)silane
CID 10242322
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxy-1H-pyridin-4-one
CID 140824907
tert-butyl-[[4-[4-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methoxy]but-2-enoxymethyl]phenyl]methoxy]-dimethylsilane
CID 68636763
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275

Frequently Asked Questions

What is the IUPAC name of [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol?
The IUPAC name of [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol (CID 91214846) is [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol.
What is the SMILES notation for [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol?
The canonical SMILES for [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol is CC(C)(C)[Si](C)(C)OCc1ccc(CS)[nH]1.
What is the InChIKey of [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol?
The InChIKey is MRSCVZWRGWDYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NOSSi/c1-12(2,3)16(4,5)14-8-10-6-7-11(9-15)13-10/h6-7,13,15H,8-9H2,1-5H3.
What are the key properties of [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol?
[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol has a molecular weight of 257.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1H-pyrrol-2-yl]methanethiol is sourced from PubChem (CID 91214846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).