4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine

C9H6Cl2N2S2 — CID 1484812

IUPAC4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C9H6Cl2N2S2/c1-14-9-12-3-2-6(13-9)5-4-7(10)15-8(5)11/h2-4H,1H3
InChIKeyPFCAWYMDVLOWHC-UHFFFAOYSA-N
MW277.20 g/mol
LogP4.23
Rot. Bonds2

About 4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine

4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine (PubChem CID 1484812) has the molecular formula C9H6Cl2N2S2 and a molecular weight of 277.20 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine
PubChem CID1484812
Molecular FormulaC9H6Cl2N2S2
Molecular Weight277.20 g/mol
Exact Mass275.93
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C9H6Cl2N2S2/c1-14-9-12-3-2-6(13-9)5-4-7(10)15-8(5)11/h2-4H,1H3
InChIKeyPFCAWYMDVLOWHC-UHFFFAOYSA-N
XLogP4.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,5-Dichloro-Thiophen-3-Yl)-Pyrimidin-2-Ylamine
CID 447955
2-Chloro-4-(thiophen-2-yl)pyrimidine
CID 14117941
2-{[4-(2,5-Dichloro-3-thienyl)-2-pyrimidinyl]sulfanyl}acetonitrile
CID 3824662
2-Methylthio-4-(3-thienyl)pyrimidine
CID 2820656
2-Chloro-4-(thiophen-3-yl)pyrimidine
CID 14117942
2-(Allylsulfanyl)-4-(2,5-dichloro-3-thienyl)pyrimidine
CID 3806023
2-Benzylsulfanyl-4-(5-chloro-3-methyl-1-benzothiophen-2-yl)pyrimidine
CID 2824225
N,N-Dimethyl-2-((4'-(thien-2''-yl)pyrimidin-2'-yl)thio)ethylamine
CID 122632
4-(2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 2728477
4-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonyl Chloride
CID 2769694
4-Chloro-6-(thiophen-2-yl)pyrimidine
CID 24902111
N,N-Dimethyl-2-((5-methyl-4-(2-thienyl)-2-pyrimidinyl)thio)ethanamine
CID 184100

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine (CID 1484812) is 4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine is CSc1nccc(-c2cc(Cl)sc2Cl)n1.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine?
The InChIKey is PFCAWYMDVLOWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2S2/c1-14-9-12-3-2-6(13-9)5-4-7(10)15-8(5)11/h2-4H,1H3.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine?
4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine has a molecular weight of 277.20 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 1484812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).