(3Z,5Z,7Z)-2H-thiocine

C7H8S — CID 19754743

IUPAC(3Z,5Z,7Z)-2H-thiocine
SMILESC1=C\C=C/SC\C=C/1
InChIInChI=1S/C7H8S/c1-2-4-6-8-7-5-3-1/h1-6H,7H2/b2-1-,5-3-,6-4-
InChIKeyIKZFWLLNHPMGKR-XCADPSHZSA-N
MW124.21 g/mol
LogP2.36
Rot. Bonds

About (3Z,5Z,7Z)-2H-thiocine

(3Z,5Z,7Z)-2H-thiocine (PubChem CID 19754743) has the molecular formula C7H8S and a molecular weight of 124.21 g/mol. Its IUPAC name is (3Z,5Z,7Z)-2H-thiocine.

Molecular Properties

Compound Name(3Z,5Z,7Z)-2H-thiocine
PubChem CID19754743
Molecular FormulaC7H8S
Molecular Weight124.21 g/mol
Exact Mass124.03
IUPAC Name(3Z,5Z,7Z)-2H-thiocine
SMILESC1=C\C=C/SC\C=C/1
InChIInChI=1S/C7H8S/c1-2-4-6-8-7-5-3-1/h1-6H,7H2/b2-1-,5-3-,6-4-
InChIKeyIKZFWLLNHPMGKR-XCADPSHZSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.21
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7Z)-2H-thiocine?
The IUPAC name of (3Z,5Z,7Z)-2H-thiocine (CID 19754743) is (3Z,5Z,7Z)-2H-thiocine.
What is the SMILES notation for (3Z,5Z,7Z)-2H-thiocine?
The canonical SMILES for (3Z,5Z,7Z)-2H-thiocine is C1=C\C=C/SC\C=C/1.
What is the InChIKey of (3Z,5Z,7Z)-2H-thiocine?
The InChIKey is IKZFWLLNHPMGKR-XCADPSHZSA-N. The full InChI is InChI=1S/C7H8S/c1-2-4-6-8-7-5-3-1/h1-6H,7H2/b2-1-,5-3-,6-4-.
What are the key properties of (3Z,5Z,7Z)-2H-thiocine?
(3Z,5Z,7Z)-2H-thiocine has a molecular weight of 124.21 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7Z)-2H-thiocine is sourced from PubChem (CID 19754743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).