1,3-bis(4-chlorothiophen-3-yl)urea

C9H6Cl2N2OS2 — CID 50852480

IUPAC1,3-bis(4-chlorothiophen-3-yl)urea
SMILESO=C(Nc1cscc1Cl)Nc1cscc1Cl
InChIInChI=1S/C9H6Cl2N2OS2/c10-5-1-15-3-7(5)12-9(14)13-8-4-16-2-6(8)11/h1-4H,(H2,12,13,14)
InChIKeyBPZLMFQKRXTCKO-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.76
Rot. Bonds2

About 1,3-bis(4-chlorothiophen-3-yl)urea

1,3-bis(4-chlorothiophen-3-yl)urea (PubChem CID 50852480) has the molecular formula C9H6Cl2N2OS2 and a molecular weight of 293.20 g/mol. Its IUPAC name is 1,3-bis(4-chlorothiophen-3-yl)urea.

Molecular Properties

Compound Name1,3-bis(4-chlorothiophen-3-yl)urea
PubChem CID50852480
Molecular FormulaC9H6Cl2N2OS2
Molecular Weight293.20 g/mol
Exact Mass291.93
IUPAC Name1,3-bis(4-chlorothiophen-3-yl)urea
SMILESO=C(Nc1cscc1Cl)Nc1cscc1Cl
InChIInChI=1S/C9H6Cl2N2OS2/c10-5-1-15-3-7(5)12-9(14)13-8-4-16-2-6(8)11/h1-4H,(H2,12,13,14)
InChIKeyBPZLMFQKRXTCKO-UHFFFAOYSA-N
XLogP4.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorothiophen-3-yl)-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)urea
CID 167897799
1-(4-chlorothiophen-3-yl)-3-[(3,4-dimethoxy-2-methylphenyl)methyl]urea
CID 154770492
1-methyl-3-(4-methylthiophen-3-yl)urea
CID 131044055
1-(2-amino-4-fluorophenyl)-3-(4-chlorothiophen-3-yl)-1-sulfanylurea
CID 87459229
4-chlorothiophene-3-carbonyl chloride
CID 12914796
4-chlorothiophen-3-ol
CID 69333411
1-(2-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788337
3-chloro-N-[(4-methylthiophen-3-yl)carbamoyl]propanamide
CID 130979130
1,3-bis(3-chloro-2-methylphenyl)urea
CID 588174
1,3-bis[4-(phenylsulfanylmethyl)thiophen-3-yl]urea
CID 14024703
1-(2-chlorophenyl)-3-(2,3-dichlorophenyl)urea
CID 5174981
1-(3-chloro-2-methylphenyl)-3-thiophen-2-ylurea
CID 20886019

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-chlorothiophen-3-yl)urea?
The IUPAC name of 1,3-bis(4-chlorothiophen-3-yl)urea (CID 50852480) is 1,3-bis(4-chlorothiophen-3-yl)urea.
What is the SMILES notation for 1,3-bis(4-chlorothiophen-3-yl)urea?
The canonical SMILES for 1,3-bis(4-chlorothiophen-3-yl)urea is O=C(Nc1cscc1Cl)Nc1cscc1Cl.
What is the InChIKey of 1,3-bis(4-chlorothiophen-3-yl)urea?
The InChIKey is BPZLMFQKRXTCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS2/c10-5-1-15-3-7(5)12-9(14)13-8-4-16-2-6(8)11/h1-4H,(H2,12,13,14).
What are the key properties of 1,3-bis(4-chlorothiophen-3-yl)urea?
1,3-bis(4-chlorothiophen-3-yl)urea has a molecular weight of 293.20 g/mol, XLogP of 4.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-chlorothiophen-3-yl)urea is sourced from PubChem (CID 50852480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).