ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione

C6H8N4S6 — CID 170572399

IUPACethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione
SMILESCC.S=c1[nH]nc(SSc2n[nH]c(=S)s2)s1
InChIInChI=1S/C4H2N4S6.C2H6/c9-1-5-7-3(11-1)13-14-4-8-6-2(10)12-4;1-2/h(H,5,9)(H,6,10);1-2H3
InChIKeyXMEMEABBILNERH-UHFFFAOYSA-N
MW328.56 g/mol
LogP4.54
Rot. Bonds3

About ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione

ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione (PubChem CID 170572399) has the molecular formula C6H8N4S6 and a molecular weight of 328.56 g/mol. Its IUPAC name is ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione.

Molecular Properties

Compound Nameethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione
PubChem CID170572399
Molecular FormulaC6H8N4S6
Molecular Weight328.56 g/mol
Exact Mass327.91
IUPAC Nameethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione
SMILESCC.S=c1[nH]nc(SSc2n[nH]c(=S)s2)s1
InChIInChI=1S/C4H2N4S6.C2H6/c9-1-5-7-3(11-1)13-14-4-8-6-2(10)12-4;1-2/h(H,5,9)(H,6,10);1-2H3
InChIKeyXMEMEABBILNERH-UHFFFAOYSA-N
XLogP4.54
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

dideuterio(tritio)methane;hydrogen peroxide;methane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione;1,3,4-thiadiazolidine-2,5-dithione
CID 159129316
5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 2735523
5-pentan-3-ylsulfanyl-3H-1,3,4-thiadiazole-2-thione
CID 18711572
5-(methoxymethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
CID 166046358
5-butylsulfanyl-3H-1,3,4-thiadiazole-2-thione
CID 159807202
5-[2-(dimethylamino)ethylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 820353
ethane;5-methyl-3H-1,3,4-thiadiazole-2-thione
CID 145351223
5-[8-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]octylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 71361512
5-(2-chloroethylsulfanyl)-3H-1,3,4-thiadiazole-2-thione
CID 160757550
5-dodecylsulfanyl-3H-1,3,4-thiadiazole-2-thione
CID 2818227
5-[2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanyl]propylsulfanyl]-3H-1,3,4-thiadiazole-2-thione
CID 21357250
5-cyclopentylsulfanyl-3H-1,3,4-thiadiazole-2-thione
CID 1479867

Frequently Asked Questions

What is the IUPAC name of ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione?
The IUPAC name of ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione (CID 170572399) is ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione.
What is the SMILES notation for ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione?
The canonical SMILES for ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione is CC.S=c1[nH]nc(SSc2n[nH]c(=S)s2)s1.
What is the InChIKey of ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione?
The InChIKey is XMEMEABBILNERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2N4S6.C2H6/c9-1-5-7-3(11-1)13-14-4-8-6-2(10)12-4;1-2/h(H,5,9)(H,6,10);1-2H3.
What are the key properties of ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione?
ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione has a molecular weight of 328.56 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)disulfanyl]-3H-1,3,4-thiadiazole-2-thione is sourced from PubChem (CID 170572399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).