dimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol

C9H16NO3PS2 — CID 144590394

IUPACdimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol
SMILESCOP(O)OC.Sc1cc2c(s1)CCNC2
InChIInChI=1S/C7H9NS2.C2H7O3P/c9-7-3-5-4-8-2-1-6(5)10-7;1-4-6(3)5-2/h3,8-9H,1-2,4H2;3H,1-2H3
InChIKeyZTDYCPVTBMPVND-UHFFFAOYSA-N
MW281.34 g/mol
LogP2.18
Rot. Bonds2

About dimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol

dimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol (PubChem CID 144590394) has the molecular formula C9H16NO3PS2 and a molecular weight of 281.34 g/mol. Its IUPAC name is dimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol.

Molecular Properties

Compound Namedimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol
PubChem CID144590394
Molecular FormulaC9H16NO3PS2
Molecular Weight281.34 g/mol
Exact Mass281.03
IUPAC Namedimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol
SMILESCOP(O)OC.Sc1cc2c(s1)CCNC2
InChIInChI=1S/C7H9NS2.C2H7O3P/c9-7-3-5-4-8-2-1-6(5)10-7;1-4-6(3)5-2/h3,8-9H,1-2,4H2;3H,1-2H3
InChIKeyZTDYCPVTBMPVND-UHFFFAOYSA-N
XLogP2.18
TPSA50.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol?
The IUPAC name of dimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol (CID 144590394) is dimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol.
What is the SMILES notation for dimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol?
The canonical SMILES for dimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol is COP(O)OC.Sc1cc2c(s1)CCNC2.
What is the InChIKey of dimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol?
The InChIKey is ZTDYCPVTBMPVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NS2.C2H7O3P/c9-7-3-5-4-8-2-1-6(5)10-7;1-4-6(3)5-2/h3,8-9H,1-2,4H2;3H,1-2H3.
What are the key properties of dimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol?
dimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol has a molecular weight of 281.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl hydrogen phosphite;4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-thiol is sourced from PubChem (CID 144590394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).