4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride

C7H11Cl2NS — CID 164945704

IUPAC4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride
SMILESCC(C)c1scc(Cl)c1N.Cl
InChIInChI=1S/C7H10ClNS.ClH/c1-4(2)7-6(9)5(8)3-10-7;/h3-4H,9H2,1-2H3;1H
InChIKeyGMNBCHYFYBXNLH-UHFFFAOYSA-N
MW212.15 g/mol
LogP3.53
Rot. Bonds1

About 4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride

4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride (PubChem CID 164945704) has the molecular formula C7H11Cl2NS and a molecular weight of 212.15 g/mol. Its IUPAC name is 4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride
PubChem CID164945704
Molecular FormulaC7H11Cl2NS
Molecular Weight212.15 g/mol
Exact Mass211.00
IUPAC Name4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride
SMILESCC(C)c1scc(Cl)c1N.Cl
InChIInChI=1S/C7H10ClNS.ClH/c1-4(2)7-6(9)5(8)3-10-7;/h3-4H,9H2,1-2H3;1H
InChIKeyGMNBCHYFYBXNLH-UHFFFAOYSA-N
XLogP3.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride?
The IUPAC name of 4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride (CID 164945704) is 4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride.
What is the SMILES notation for 4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride?
The canonical SMILES for 4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride is CC(C)c1scc(Cl)c1N.Cl.
What is the InChIKey of 4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride?
The InChIKey is GMNBCHYFYBXNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClNS.ClH/c1-4(2)7-6(9)5(8)3-10-7;/h3-4H,9H2,1-2H3;1H.
What are the key properties of 4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride?
4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride has a molecular weight of 212.15 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-ylthiophen-3-amine;hydrochloride is sourced from PubChem (CID 164945704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).