3-amino-3-thiophen-2-ylpropane-1-thiol

C7H11NS2 — CID 116831185

IUPAC3-amino-3-thiophen-2-ylpropane-1-thiol
SMILESNC(CCS)c1cccs1
InChIInChI=1S/C7H11NS2/c8-6(3-4-9)7-2-1-5-10-7/h1-2,5-6,9H,3-4,8H2
InChIKeyKHMHKBHQQVJKHX-UHFFFAOYSA-N
MW173.31 g/mol
LogP2.07
Rot. Bonds3

About 3-amino-3-thiophen-2-ylpropane-1-thiol

3-amino-3-thiophen-2-ylpropane-1-thiol (PubChem CID 116831185) has the molecular formula C7H11NS2 and a molecular weight of 173.31 g/mol. Its IUPAC name is 3-amino-3-thiophen-2-ylpropane-1-thiol.

Molecular Properties

Compound Name3-amino-3-thiophen-2-ylpropane-1-thiol
PubChem CID116831185
Molecular FormulaC7H11NS2
Molecular Weight173.31 g/mol
Exact Mass173.03
IUPAC Name3-amino-3-thiophen-2-ylpropane-1-thiol
SMILESNC(CCS)c1cccs1
InChIInChI=1S/C7H11NS2/c8-6(3-4-9)7-2-1-5-10-7/h1-2,5-6,9H,3-4,8H2
InChIKeyKHMHKBHQQVJKHX-UHFFFAOYSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.31
LogP ≤ 52.07
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

(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
4-amino-4-thiophen-2-ylbutanamide
CID 60860619
(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673
1-thiophen-2-ylundecan-1-amine
CID 63414388
5-amino-5-thiophen-2-ylpentan-2-one
CID 116940647
1-thiophen-2-yloctan-1-amine
CID 22115201
thiophen-2-yl (2S)-2-amino-4-sulfanylbutanoate
CID 174919096
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine
CID 82021708
N'-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 115287726
2-methoxy-1-thiophen-2-ylethanamine
CID 58736274

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-thiophen-2-ylpropane-1-thiol?
The IUPAC name of 3-amino-3-thiophen-2-ylpropane-1-thiol (CID 116831185) is 3-amino-3-thiophen-2-ylpropane-1-thiol.
What is the SMILES notation for 3-amino-3-thiophen-2-ylpropane-1-thiol?
The canonical SMILES for 3-amino-3-thiophen-2-ylpropane-1-thiol is NC(CCS)c1cccs1.
What is the InChIKey of 3-amino-3-thiophen-2-ylpropane-1-thiol?
The InChIKey is KHMHKBHQQVJKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NS2/c8-6(3-4-9)7-2-1-5-10-7/h1-2,5-6,9H,3-4,8H2.
What are the key properties of 3-amino-3-thiophen-2-ylpropane-1-thiol?
3-amino-3-thiophen-2-ylpropane-1-thiol has a molecular weight of 173.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-thiophen-2-ylpropane-1-thiol is sourced from PubChem (CID 116831185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).