carbonochloridic acid;2-methylpropane-2-thiol

C5H11ClO2S — CID 21421000

IUPACcarbonochloridic acid;2-methylpropane-2-thiol
SMILESCC(C)(C)S.O=C(O)Cl
InChIInChI=1S/C4H10S.CHClO2/c1-4(2,3)5;2-1(3)4/h5H,1-3H3;(H,3,4)
InChIKeyXBIDQHYKLPTOHB-UHFFFAOYSA-N
MW170.66 g/mol
LogP2.62
Rot. Bonds

About carbonochloridic acid;2-methylpropane-2-thiol

carbonochloridic acid;2-methylpropane-2-thiol (PubChem CID 21421000) has the molecular formula C5H11ClO2S and a molecular weight of 170.66 g/mol. Its IUPAC name is carbonochloridic acid;2-methylpropane-2-thiol.

Molecular Properties

Compound Namecarbonochloridic acid;2-methylpropane-2-thiol
PubChem CID21421000
Molecular FormulaC5H11ClO2S
Molecular Weight170.66 g/mol
Exact Mass170.02
IUPAC Namecarbonochloridic acid;2-methylpropane-2-thiol
SMILESCC(C)(C)S.O=C(O)Cl
InChIInChI=1S/C4H10S.CHClO2/c1-4(2,3)5;2-1(3)4/h5H,1-3H3;(H,3,4)
InChIKeyXBIDQHYKLPTOHB-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.66
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze carbonochloridic acid;2-methylpropane-2-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbonochloridic acid;methanol
CID 159093381
bis(carbonochloridic acid);ethane
CID 175169391
bis(carbonochloridic acid);sulfane
CID 172835301
acetic acid;2-methyl-2-sulfanylpropanoic acid
CID 175079730
2-amino-2-sulfanylpropanoic acid
CID 22715625
benzene;hexakis(carbonochloridic acid)
CID 23163830
azane;2-methylpropane-2-thiol
CID 87874435
2,2-dimethylpropanoic acid
CID 87781698
carbamoyl chloride;carbonochloridic acid
CID 88841427
carbonic acid;2-methylpropan-2-ol
CID 87955021
carbonochloridic acid;cycloundecane
CID 88753248
2,2-dimethyl-3,3-bis(sulfanyl)propanoyl chloride
CID 88847380

Frequently Asked Questions

What is the IUPAC name of carbonochloridic acid;2-methylpropane-2-thiol?
The IUPAC name of carbonochloridic acid;2-methylpropane-2-thiol (CID 21421000) is carbonochloridic acid;2-methylpropane-2-thiol.
What is the SMILES notation for carbonochloridic acid;2-methylpropane-2-thiol?
The canonical SMILES for carbonochloridic acid;2-methylpropane-2-thiol is CC(C)(C)S.O=C(O)Cl.
What is the InChIKey of carbonochloridic acid;2-methylpropane-2-thiol?
The InChIKey is XBIDQHYKLPTOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S.CHClO2/c1-4(2,3)5;2-1(3)4/h5H,1-3H3;(H,3,4).
What are the key properties of carbonochloridic acid;2-methylpropane-2-thiol?
carbonochloridic acid;2-methylpropane-2-thiol has a molecular weight of 170.66 g/mol, XLogP of 2.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonochloridic acid;2-methylpropane-2-thiol is sourced from PubChem (CID 21421000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).