(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine

C12H12ClNS2 — CID 79214254

IUPAC(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H12ClNS2/c1-15-9-4-2-8(3-5-9)12(14)10-6-7-11(13)16-10/h2-7,12H,14H2,1H3
InChIKeyTXNBLTPFSQHEAX-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.17
Rot. Bonds3

About (5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine

(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine (PubChem CID 79214254) has the molecular formula C12H12ClNS2 and a molecular weight of 269.82 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine
PubChem CID79214254
Molecular FormulaC12H12ClNS2
Molecular Weight269.82 g/mol
Exact Mass269.01
IUPAC Name(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine
SMILESCSc1ccc(C(N)c2ccc(Cl)s2)cc1
InChIInChI=1S/C12H12ClNS2/c1-15-9-4-2-8(3-5-9)12(14)10-6-7-11(13)16-10/h2-7,12H,14H2,1H3
InChIKeyTXNBLTPFSQHEAX-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chlorothiophen-2-yl)-(4-methylphenyl)methanamine
CID 43114608
(5-chlorothiophen-2-yl)-(4-methoxyphenyl)methanamine
CID 43114585
(5-chlorothiophen-2-yl)-[4-(2-methoxyethyl)phenyl]methanamine
CID 55136672
(3-bromo-4-fluorophenyl)-(5-chlorothiophen-2-yl)methanamine
CID 79747667
(4-bromophenyl)-(4-methylsulfanylphenyl)methanamine
CID 79214742
1-[(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane
CID 4317657
1,3-benzodioxol-5-yl-(5-chlorothiophen-2-yl)methanamine
CID 43114603
(2-chloro-4,5-dimethylphenyl)-(4-methylsulfanylphenyl)methanamine
CID 115483792
(4-methylsulfanylphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43558943
(5-chlorothiophen-2-yl)-(4-ethylsulfanylphenyl)methanol
CID 106848268
(5-chlorothiophen-2-yl)-(3,4-dihydro-2H-chromen-6-yl)methanamine
CID 62275925
(1S)-1-(4-methylsulfanylphenyl)ethanamine;hydrochloride
CID 53484788

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine?
The IUPAC name of (5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine (CID 79214254) is (5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine?
The canonical SMILES for (5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine is CSc1ccc(C(N)c2ccc(Cl)s2)cc1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine?
The InChIKey is TXNBLTPFSQHEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNS2/c1-15-9-4-2-8(3-5-9)12(14)10-6-7-11(13)16-10/h2-7,12H,14H2,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine?
(5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine has a molecular weight of 269.82 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(4-methylsulfanylphenyl)methanamine is sourced from PubChem (CID 79214254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).