(2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride

C5H7Cl4NS — CID 154809616

IUPAC(2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cc(Cl)sc1Cl
InChIInChI=1S/C5H5Cl2NS.2ClH/c6-4-1-3(2-8)5(7)9-4;;/h1H,2,8H2;2*1H
InChIKeyRWSIDRIPTACRCN-UHFFFAOYSA-N
MW255.00 g/mol
LogP3.36
Rot. Bonds1

About (2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride

(2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride (PubChem CID 154809616) has the molecular formula C5H7Cl4NS and a molecular weight of 255.00 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride
PubChem CID154809616
Molecular FormulaC5H7Cl4NS
Molecular Weight255.00 g/mol
Exact Mass252.91
IUPAC Name(2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride
SMILESCl.Cl.NCc1cc(Cl)sc1Cl
InChIInChI=1S/C5H5Cl2NS.2ClH/c6-4-1-3(2-8)5(7)9-4;;/h1H,2,8H2;2*1H
InChIKeyRWSIDRIPTACRCN-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.00
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride?
The IUPAC name of (2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride (CID 154809616) is (2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride is Cl.Cl.NCc1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride?
The InChIKey is RWSIDRIPTACRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2NS.2ClH/c6-4-1-3(2-8)5(7)9-4;;/h1H,2,8H2;2*1H.
What are the key properties of (2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride?
(2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride has a molecular weight of 255.00 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)methanamine;dihydrochloride is sourced from PubChem (CID 154809616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).