(2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol

C8H11BrO2S2 — CID 97049222

IUPAC(2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol
SMILESOC[C@@H](O)CSCc1sccc1Br
InChIInChI=1S/C8H11BrO2S2/c9-7-1-2-13-8(7)5-12-4-6(11)3-10/h1-2,6,10-11H,3-5H2/t6-/m1/s1
InChIKeyUNBNAVPACIYJBC-ZCFIWIBFSA-N
MW283.21 g/mol
LogP2.10
Rot. Bonds5

About (2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol

(2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol (PubChem CID 97049222) has the molecular formula C8H11BrO2S2 and a molecular weight of 283.21 g/mol. Its IUPAC name is (2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name(2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol
PubChem CID97049222
Molecular FormulaC8H11BrO2S2
Molecular Weight283.21 g/mol
Exact Mass281.94
IUPAC Name(2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol
SMILESOC[C@@H](O)CSCc1sccc1Br
InChIInChI=1S/C8H11BrO2S2/c9-7-1-2-13-8(7)5-12-4-6(11)3-10/h1-2,6,10-11H,3-5H2/t6-/m1/s1
InChIKeyUNBNAVPACIYJBC-ZCFIWIBFSA-N
XLogP2.10
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylsulfanylmethyl)-3-bromothiophene
CID 63458237
3-[(4-bromophenyl)methylsulfanyl]propane-1,2-diol
CID 78912115
3-bromo-2-(butylsulfanylmethyl)thiophene
CID 63456592
3-bromo-2-[(4-chlorophenyl)methylsulfanylmethyl]thiophene
CID 114791424
3-bromo-2-(2-ethylsulfonylethylsulfanylmethyl)thiophene
CID 75438260
3-[(3-amino-4-bromophenyl)methylsulfanyl]propane-1,2-diol
CID 115558397
1-(3-bromothiophen-2-yl)-3-methoxy-3-methylbutan-2-ol
CID 79197988
2-(aminomethyl)-3-(3-bromothiophen-2-yl)propan-1-ol
CID 63215836
3-(2,3-dihydroxypropylsulfanylmethyl)thiophene-2-carbohydrazide
CID 79671984
2-[(3-bromothiophen-2-yl)methyl]-3-hydroxypropanenitrile
CID 55163477
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444
3-bromo-2-[(4-propan-2-ylphenyl)sulfanylmethyl]thiophene
CID 63458411

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol?
The IUPAC name of (2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol (CID 97049222) is (2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol.
What is the SMILES notation for (2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol?
The canonical SMILES for (2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol is OC[C@@H](O)CSCc1sccc1Br.
What is the InChIKey of (2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol?
The InChIKey is UNBNAVPACIYJBC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H11BrO2S2/c9-7-1-2-13-8(7)5-12-4-6(11)3-10/h1-2,6,10-11H,3-5H2/t6-/m1/s1.
What are the key properties of (2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol?
(2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol has a molecular weight of 283.21 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[(3-bromothiophen-2-yl)methylsulfanyl]propane-1,2-diol is sourced from PubChem (CID 97049222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).