(4,5-dichlorothiophen-3-yl)methanamine

C5H5Cl2NS — CID 82647647

IUPAC(4,5-dichlorothiophen-3-yl)methanamine
SMILESNCc1csc(Cl)c1Cl
InChIInChI=1S/C5H5Cl2NS/c6-4-3(1-8)2-9-5(4)7/h2H,1,8H2
InChIKeyBBKXDRKJLXXFKG-UHFFFAOYSA-N
MW182.08 g/mol
LogP2.51
Rot. Bonds1

About (4,5-dichlorothiophen-3-yl)methanamine

(4,5-dichlorothiophen-3-yl)methanamine (PubChem CID 82647647) has the molecular formula C5H5Cl2NS and a molecular weight of 182.08 g/mol. Its IUPAC name is (4,5-dichlorothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(4,5-dichlorothiophen-3-yl)methanamine
PubChem CID82647647
Molecular FormulaC5H5Cl2NS
Molecular Weight182.08 g/mol
Exact Mass180.95
IUPAC Name(4,5-dichlorothiophen-3-yl)methanamine
SMILESNCc1csc(Cl)c1Cl
InChIInChI=1S/C5H5Cl2NS/c6-4-3(1-8)2-9-5(4)7/h2H,1,8H2
InChIKeyBBKXDRKJLXXFKG-UHFFFAOYSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.08
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 57415853
CID 57415853
CID 125511660
CID 125511660
CID 55283981
CID 55283981
CID 23241750
CID 23241750
CID 64083477
CID 64083477
CID 130241438
CID 130241438
CID 71757986
CID 71757986
CID 82647651
CID 82647651
CID 114748589
CID 114748589
CID 130964655
CID 130964655
CID 154577335
CID 154577335
CID 154809616
CID 154809616

Frequently Asked Questions

What is the IUPAC name of (4,5-dichlorothiophen-3-yl)methanamine?
The IUPAC name of (4,5-dichlorothiophen-3-yl)methanamine (CID 82647647) is (4,5-dichlorothiophen-3-yl)methanamine.
What is the SMILES notation for (4,5-dichlorothiophen-3-yl)methanamine?
The canonical SMILES for (4,5-dichlorothiophen-3-yl)methanamine is NCc1csc(Cl)c1Cl.
What is the InChIKey of (4,5-dichlorothiophen-3-yl)methanamine?
The InChIKey is BBKXDRKJLXXFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2NS/c6-4-3(1-8)2-9-5(4)7/h2H,1,8H2.
What are the key properties of (4,5-dichlorothiophen-3-yl)methanamine?
(4,5-dichlorothiophen-3-yl)methanamine has a molecular weight of 182.08 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichlorothiophen-3-yl)methanamine is sourced from PubChem (CID 82647647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).