(2R)-2-amino-3-benzylsulfanylpropane-1-thiol

C10H15NS2 — CID 121215749

IUPAC(2R)-2-amino-3-benzylsulfanylpropane-1-thiol
SMILESN[C@H](CS)CSCc1ccccc1
InChIInChI=1S/C10H15NS2/c11-10(6-12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2/t10-/m1/s1
InChIKeyQSHJKYLNKRANSL-SNVBAGLBSA-N
MW213.37 g/mol
LogP2.18
Rot. Bonds5

About (2R)-2-amino-3-benzylsulfanylpropane-1-thiol

(2R)-2-amino-3-benzylsulfanylpropane-1-thiol (PubChem CID 121215749) has the molecular formula C10H15NS2 and a molecular weight of 213.37 g/mol. Its IUPAC name is (2R)-2-amino-3-benzylsulfanylpropane-1-thiol.

Molecular Properties

Compound Name(2R)-2-amino-3-benzylsulfanylpropane-1-thiol
PubChem CID121215749
Molecular FormulaC10H15NS2
Molecular Weight213.37 g/mol
Exact Mass213.06
IUPAC Name(2R)-2-amino-3-benzylsulfanylpropane-1-thiol
SMILESN[C@H](CS)CSCc1ccccc1
InChIInChI=1S/C10H15NS2/c11-10(6-12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2/t10-/m1/s1
InChIKeyQSHJKYLNKRANSL-SNVBAGLBSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-benzylsulfanyl-2-(benzylsulfanylmethyl)propan-1-amine
CID 134882341
2-benzylsulfanyl-1-naphthalen-1-ylethanamine
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(2S)-2-amino-5-phenylpentane-1-thiol
CID 87877101
1-benzylsulfanylhexan-3-amine
CID 178163161
(2S)-2-amino-3-phenylmethoxypropane-1-thiol
CID 87876386
(1-benzylsulfanyl-3-hydroxypropan-2-yl)azanium
CID 4115534
benzylsulfanylmethylbenzene;1,1'-biphenyl
CID 66703910
1-(4-aminophenyl)-2-benzylsulfanylethanol
CID 62265593
3-benzylsulfanylpropylsulfanylmethylbenzene
CID 13214429
iodomethylsulfanylmethylbenzene
CID 12664832
(2R)-2-amino-3-[(3-fluorophenyl)methylsulfanyl]propan-1-ol
CID 54404619
(2R)-2-(benzylsulfanylmethyl)-3-methylbutanoic acid
CID 69474114

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-benzylsulfanylpropane-1-thiol?
The IUPAC name of (2R)-2-amino-3-benzylsulfanylpropane-1-thiol (CID 121215749) is (2R)-2-amino-3-benzylsulfanylpropane-1-thiol.
What is the SMILES notation for (2R)-2-amino-3-benzylsulfanylpropane-1-thiol?
The canonical SMILES for (2R)-2-amino-3-benzylsulfanylpropane-1-thiol is N[C@H](CS)CSCc1ccccc1.
What is the InChIKey of (2R)-2-amino-3-benzylsulfanylpropane-1-thiol?
The InChIKey is QSHJKYLNKRANSL-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NS2/c11-10(6-12)8-13-7-9-4-2-1-3-5-9/h1-5,10,12H,6-8,11H2/t10-/m1/s1.
What are the key properties of (2R)-2-amino-3-benzylsulfanylpropane-1-thiol?
(2R)-2-amino-3-benzylsulfanylpropane-1-thiol has a molecular weight of 213.37 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-benzylsulfanylpropane-1-thiol is sourced from PubChem (CID 121215749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).