1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol

C5H6N2S2 — CID 139525509

IUPAC1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol
SMILESSC1(c2nncs2)CC1
InChIInChI=1S/C5H6N2S2/c8-5(1-2-5)4-7-6-3-9-4/h3,8H,1-2H2
InChIKeyMSROMBSHMNTVTJ-UHFFFAOYSA-N
MW158.25 g/mol
LogP1.46
Rot. Bonds1

About 1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol

1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol (PubChem CID 139525509) has the molecular formula C5H6N2S2 and a molecular weight of 158.25 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol
PubChem CID139525509
Molecular FormulaC5H6N2S2
Molecular Weight158.25 g/mol
Exact Mass158.00
IUPAC Name1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol
SMILESSC1(c2nncs2)CC1
InChIInChI=1S/C5H6N2S2/c8-5(1-2-5)4-7-6-3-9-4/h3,8H,1-2H2
InChIKeyMSROMBSHMNTVTJ-UHFFFAOYSA-N
XLogP1.46
TPSA25.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol?
The IUPAC name of 1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol (CID 139525509) is 1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol is SC1(c2nncs2)CC1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol?
The InChIKey is MSROMBSHMNTVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2S2/c8-5(1-2-5)4-7-6-3-9-4/h3,8H,1-2H2.
What are the key properties of 1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol?
1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol has a molecular weight of 158.25 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-thiadiazol-2-yl)cyclopropane-1-thiol is sourced from PubChem (CID 139525509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).