methanethioyl chloride;N-methylmethanamine

C3H8ClNS — CID 175343691

IUPACmethanethioyl chloride;N-methylmethanamine
SMILESCNC.S=CCl
InChIInChI=1S/C2H7N.CHClS/c1-3-2;2-1-3/h3H,1-2H3;1H
InChIKeyBBSHLEPDPCNUFG-UHFFFAOYSA-N
MW125.62 g/mol
LogP1.02
Rot. Bonds

About methanethioyl chloride;N-methylmethanamine

methanethioyl chloride;N-methylmethanamine (PubChem CID 175343691) has the molecular formula C3H8ClNS and a molecular weight of 125.62 g/mol. Its IUPAC name is methanethioyl chloride;N-methylmethanamine.

Molecular Properties

Compound Namemethanethioyl chloride;N-methylmethanamine
PubChem CID175343691
Molecular FormulaC3H8ClNS
Molecular Weight125.62 g/mol
Exact Mass125.01
IUPAC Namemethanethioyl chloride;N-methylmethanamine
SMILESCNC.S=CCl
InChIInChI=1S/C2H7N.CHClS/c1-3-2;2-1-3/h3H,1-2H3;1H
InChIKeyBBSHLEPDPCNUFG-UHFFFAOYSA-N
XLogP1.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.62
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

formyl chloride;N-methylmethanamine
CID 159076445
N-methylmethanamine
CID 674
N-(113C)methyl(113C)methan(15N)amine
CID 71309073
N-methylmethanamine;titanium
CID 174706971
hafnium(4+);tetrakis(N-methylmethanamine)
CID 162367867
bis(N-methylmethanamine);tungsten
CID 160565372
gallane;N-methylmethanamine
CID 158753796
argon;N-methylmethanamine
CID 158310601
2-chloropropane;bis(N-methylmethanamine)
CID 88525662
N-methylmethanamine;tetrachloromethane
CID 87872329
methylamino methanedithioate
CID 175347918
3-chloroprop-1-ene;N-methylmethanamine
CID 19802160

Frequently Asked Questions

What is the IUPAC name of methanethioyl chloride;N-methylmethanamine?
The IUPAC name of methanethioyl chloride;N-methylmethanamine (CID 175343691) is methanethioyl chloride;N-methylmethanamine.
What is the SMILES notation for methanethioyl chloride;N-methylmethanamine?
The canonical SMILES for methanethioyl chloride;N-methylmethanamine is CNC.S=CCl.
What is the InChIKey of methanethioyl chloride;N-methylmethanamine?
The InChIKey is BBSHLEPDPCNUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.CHClS/c1-3-2;2-1-3/h3H,1-2H3;1H.
What are the key properties of methanethioyl chloride;N-methylmethanamine?
methanethioyl chloride;N-methylmethanamine has a molecular weight of 125.62 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanethioyl chloride;N-methylmethanamine is sourced from PubChem (CID 175343691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).