3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine

C6H10N2S2 — CID 88889582

IUPAC3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine
SMILESC#CC1CN(C)S(=S)N1C
InChIInChI=1S/C6H10N2S2/c1-4-6-5-7(2)10(9)8(6)3/h1,6H,5H2,2-3H3
InChIKeyCREXSHXMSNEOSQ-UHFFFAOYSA-N
MW174.29 g/mol
LogP-0.22
Rot. Bonds

About 3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine

3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine (PubChem CID 88889582) has the molecular formula C6H10N2S2 and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine.

Molecular Properties

Compound Name3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine
PubChem CID88889582
Molecular FormulaC6H10N2S2
Molecular Weight174.29 g/mol
Exact Mass174.03
IUPAC Name3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine
SMILESC#CC1CN(C)S(=S)N1C
InChIInChI=1S/C6H10N2S2/c1-4-6-5-7(2)10(9)8(6)3/h1,6H,5H2,2-3H3
InChIKeyCREXSHXMSNEOSQ-UHFFFAOYSA-N
XLogP-0.22
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine 1-oxide
CID 88889594
4-Ethynyl-1,2,3-trimethyl-2-sulfanylidene-1,3,2lambda5-diazaphospholidine
CID 88889603
3,4-Diethynyl-2,5-dimethyl-1,1-bis(sulfanylidene)-1,2,5-thiadiazolidine
CID 88890099
4-Ethynyl-1,3-dimethyl-2-methylsulfanyl-2-sulfanylidene-1,3,2lambda5-diazaphospholidine
CID 88890131
3,4-Diethynyl-2,5-dimethyl-1,2,5-thiadiazolidine
CID 89441928
3,4-Diethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine 1-oxide
CID 89441937
3-Ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1-oxide
CID 89442134
3-Ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 89442139
3-Ethynyl-2,5-dimethyl-1,1-bis(sulfanylidene)-1,2,5-thiadiazolidine
CID 89442144
3,4-Diethynyl-2,5-dimethyl-1,2,5-thiadiazolidine 1-oxide
CID 89446630
3,4-Diethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine
CID 89446632
3-Ethynyl-2,5-dimethyl-1,2,5-thiadiazolidine
CID 89703482

Frequently Asked Questions

What is the IUPAC name of 3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine?
The IUPAC name of 3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine (CID 88889582) is 3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine.
What is the SMILES notation for 3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine?
The canonical SMILES for 3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine is C#CC1CN(C)S(=S)N1C.
What is the InChIKey of 3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine?
The InChIKey is CREXSHXMSNEOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2S2/c1-4-6-5-7(2)10(9)8(6)3/h1,6H,5H2,2-3H3.
What are the key properties of 3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine?
3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine has a molecular weight of 174.29 g/mol, XLogP of -0.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethynyl-2,5-dimethyl-1-sulfanylidene-1,2,5-thiadiazolidine is sourced from PubChem (CID 88889582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).