2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine

C14H11ClN2S2 — CID 95528650

IUPAC2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(SCc3ccccc3)nc2s1
InChIInChI=1S/C14H11ClN2S2/c1-9-7-11-12(15)16-14(17-13(11)19-9)18-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyVGWLSVWEUHJTKL-UHFFFAOYSA-N
MW306.84 g/mol
LogP4.95
Rot. Bonds3

About 2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine

2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine (PubChem CID 95528650) has the molecular formula C14H11ClN2S2 and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine
PubChem CID95528650
Molecular FormulaC14H11ClN2S2
Molecular Weight306.84 g/mol
Exact Mass306.01
IUPAC Name2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine
SMILESCc1cc2c(Cl)nc(SCc3ccccc3)nc2s1
InChIInChI=1S/C14H11ClN2S2/c1-9-7-11-12(15)16-14(17-13(11)19-9)18-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyVGWLSVWEUHJTKL-UHFFFAOYSA-N
XLogP4.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-chloro-6-methylthieno[2,3-d]pyrimidin-2-amine
CID 82309363
4-chloro-2-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
CID 95528658
2-benzylsulfanyl-4,6-dimethylpyrimidine
CID 716895
4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine
CID 63614533
4-chloro-2-[(2-fluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
CID 63614703
4-chloro-2-[(3,5-dimethylphenyl)methyl]-6-methylthieno[2,3-d]pyrimidine
CID 63614537
2-benzylsulfanyl-4-chloro-5-iodopyrimidine
CID 91469234
2-benzylsulfanyl-4,6-dimethylpyrimidin-5-ol
CID 14884312
2-benzylsulfanyl-6-methylpyrimidine-4-carboxylic acid
CID 107555108
2-benzylsulfanyl-4-chloro-6-phenylpyrimidine
CID 16642955
2-benzylsulfanyl-4,7-dimethylquinazoline
CID 750429
4-chloro-6-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-yl)thieno[2,3-d]pyrimidine
CID 65415094

Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine (CID 95528650) is 2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine is Cc1cc2c(Cl)nc(SCc3ccccc3)nc2s1.
What is the InChIKey of 2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is VGWLSVWEUHJTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2S2/c1-9-7-11-12(15)16-14(17-13(11)19-9)18-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine?
2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 306.84 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-4-chloro-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 95528650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).