CID 139243570

C10H12S — CID 139243570

IUPAC—
SMILESCC1(C)[C]S/C=C\C=C/C=C\1
InChIInChI=1S/C10H12S/c1-10(2)7-5-3-4-6-8-11-9-10/h3-8H,1-2H3/b4-3-,7-5-,8-6-
InChIKeyWNBBGMPVWKKSJL-RWPVZYMPSA-N
MW164.27 g/mol
LogP3.42
Rot. Bonds

About CID 139243570

CID 139243570 (PubChem CID 139243570) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol.

Molecular Properties

Compound NameCID 139243570
PubChem CID139243570
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name—
SMILESCC1(C)[C]S/C=C\C=C/C=C\1
InChIInChI=1S/C10H12S/c1-10(2)7-5-3-4-6-8-11-9-10/h3-8H,1-2H3/b4-3-,7-5-,8-6-
InChIKeyWNBBGMPVWKKSJL-RWPVZYMPSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 139243570?
The IUPAC name of CID 139243570 (CID 139243570) is not available.
What is the SMILES notation for CID 139243570?
The canonical SMILES for CID 139243570 is CC1(C)[C]S/C=C\C=C/C=C\1.
What is the InChIKey of CID 139243570?
The InChIKey is WNBBGMPVWKKSJL-RWPVZYMPSA-N. The full InChI is InChI=1S/C10H12S/c1-10(2)7-5-3-4-6-8-11-9-10/h3-8H,1-2H3/b4-3-,7-5-,8-6-.
What are the key properties of CID 139243570?
CID 139243570 has a molecular weight of 164.27 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139243570 is sourced from PubChem (CID 139243570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).